data_2kvp_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 2kvp _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 1828 ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 121.343 0.592 . . . . 1.28 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.73 -30.53 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.434 -0.803 . . . . 0.87 109.96 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 45.9 m -63.88 -36.91 85.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.578 -0.737 . . . . 1.3500000000000001 110.876 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.96 -44.51 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.027 0.441 . . . . 1.0900000000000001 110.228 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 31.7 m -61.91 -35.21 77.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.272 0.558 . . . . 1.1399999999999999 110.416 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -66.08 -41.64 90.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.842 -0.617 . . . . 3.02 110.232 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.545 ' O ' ' HG2' ' A' 1837 ' ' GLN . . . -62.0 -34.12 75.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.989 -0.551 . . . . 1.0600000000000001 111.05 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1835 ' ' ILE . . . . . 0.464 ' HA ' HE22 ' A' 1921 ' ' GLN . 62.0 mt -64.96 -48.34 84.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.121 -0.49 . . . . 1.1899999999999999 110.423 175.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -66.65 -40.38 88.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.80000000000000004 111.832 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1837 ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.2 pt20 -62.5 -34.08 76.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 1.0 110.996 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.66 0.266 . . . . 1.25 110.759 179.742 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' A' 1916 ' ' ILE . 57.2 t80 . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.805 0.336 . . . . 0.89000000000000001 110.595 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.5 p -58.02 -33.45 46.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.068 -0.515 . . . . 1.3400000000000001 112.07 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -69.25 -44.39 72.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.031 0.443 . . . . 1.71 110.514 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -73.42 -33.4 64.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.106 -0.497 . . . . 1.4299999999999999 110.555 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.711 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 30.8 tt0 -55.03 -57.23 12.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 1.21 110.505 173.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.536 ' O ' ' HG3' ' A' 1859 ' ' ARG . 10.5 p -62.98 -30.33 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.484 -0.78 . . . . 2.1099999999999999 111.457 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 44.1 m -69.37 -49.1 58.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.739 0.304 . . . . 1.1899999999999999 110.675 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.408 ' SD ' ' HA ' ' A' 1900 ' ' ALA . 67.9 mtp -65.13 -41.94 94.36 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.132 0.419 . . . . 1.1000000000000001 112.132 -176.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.691 ' O ' ' HG3' ' A' 1862 ' ' LYS . 29.1 m -61.89 -32.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.456 -0.498 . . . . 1.0700000000000001 110.809 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' 1855 ' ' THR . 96.4 mtt180 -66.98 -46.76 73.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.712 0.292 . . . . 3.6299999999999999 110.503 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.478 ' HB ' HD21 ' A' 1896 ' ' LEU . 2.6 m -68.1 -31.92 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.374 -0.376 . . . . 1.1100000000000001 110.79 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.531 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.97 -45.33 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 1.0900000000000001 110.525 176.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.691 ' HG3' ' O ' ' A' 1858 ' ' VAL . 84.1 mttt -63.75 -28.25 69.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.107 0.48 . . . . 1.8799999999999999 110.183 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1863 ' ' ALA . . . . . 0.403 ' O ' HG12 ' A' 1866 ' ' VAL . . . -72.45 -38.3 68.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 1.1499999999999999 111.37 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.73 HD13 HG22 ' A' 1961 ' ' VAL . 1.7 pp -76.96 -26.47 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.374 -0.53 . . . . 1.0800000000000001 109.767 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.581 ' HB3' HG11 ' A' 1961 ' ' VAL . . . -66.65 -38.86 87.74 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.809 -0.632 . . . . 0.98999999999999999 111.395 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' 1863 ' ' ALA . 13.0 p -71.54 -30.46 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.694 -0.403 . . . . 1.45 110.254 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.55 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.7 m -67.27 -53.53 29.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 1.0600000000000001 110.744 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.705 HG22 ' HB ' ' A' 1957 ' ' VAL . 6.8 p -62.05 -37.21 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 1.05 111.157 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -68.97 -26.1 64.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.292 0.568 . . . . 0.91000000000000003 109.838 179.156 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.6 tp10 -77.28 -38.4 50.86 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.696 -0.483 . . . . 0.56999999999999995 109.696 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.55 ' HG3' ' O ' ' A' 1867 ' ' THR . 83.0 mtp -64.16 -42.22 96.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 1.25 111.117 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' 1869 ' ' GLN . 11.6 p -62.54 -31.34 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.459 0.647 . . . . 1.27 110.57 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 98.1 m -81.09 -51.15 8.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.238 -0.892 . . . . 1.1499999999999999 111.083 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 6.0 mmpt? -63.48 -25.96 68.5 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 112.538 0.57 . . . . 1.97 112.538 -175.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 33.5 p -61.43 -24.51 66.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.152 0.501 . . . . 1.74 111.307 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -80.5 -32.18 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.9 -0.591 . . . . 0.76000000000000001 111.685 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 16.5 p -109.3 -45.73 3.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.281 0.562 . . . . 1.71 112.466 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 60.5 m -131.66 88.83 41.56 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.702 -0.681 . . . . 1.4299999999999999 110.874 -168.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.99 -21.57 32.22 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.555 2.17 . . . . 1.02 112.842 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.01 -14.98 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 2.2400000000000002 110.86 -178.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -80.88 -9.95 59.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 1.8899999999999999 110.712 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.463 HD11 HD13 ' A' 1937 ' ' LEU . 98.4 mt -69.04 -33.74 74.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 1.1399999999999999 111.22 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1883 ' ' GLY . . . . . 0.413 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.17 -55.4 28.1 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.102 -0.57 . . . . 0.42999999999999999 113.437 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' 1883 ' ' GLY . 16.8 Cg_endo -60.2 -30.85 92.17 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.329 2.019 . . . . 1.0 112.613 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.98 -41.37 51.5 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 121.183 -0.207 . . . . 1.0700000000000001 110.553 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.75 72.98 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.59 -0.522 . . . . 1.1000000000000001 109.59 173.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -65.9 -40.66 91.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.557 -0.747 . . . . 1.4299999999999999 110.087 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -68.36 -44.12 75.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.264 -0.88 . . . . 1.0700000000000001 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.568 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 33.7 tp -60.75 -40.26 91.8 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.437 -0.579 . . . . 1.05 109.437 176.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 55.8 m -65.33 -45.69 83.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.424 -0.807 . . . . 1.0800000000000001 111.669 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 68.7 p -70.46 -50.87 33.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 1.72 111.528 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.435 ' HB3' HG22 ' A' 1864 ' ' ILE . 21.9 m-20 -58.02 -41.14 82.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.189 -0.459 . . . . 0.80000000000000004 111.266 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.28 -41.27 98.98 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.858 -0.337 . . . . 1.05 110.437 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.95 -39.31 88.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.96 -0.638 . . . . 0.34000000000000002 111.847 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -67.86 -43.48 79.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.411 0.148 . . . . 3.48 110.795 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.478 HD21 ' HB ' ' A' 1860 ' ' THR . 8.9 mt -60.25 -41.26 92.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.272 . . . . 1.45 111.263 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.35 -25.85 68.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.244 -0.435 . . . . 1.1499999999999999 111.096 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 32.9 t -81.75 -36.1 28.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 1.8899999999999999 110.071 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.403 ' O ' ' HD2' ' A' 1902 ' ' PRO . 19.6 mt-30 -77.51 -24.89 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.713 -0.676 . . . . 1.5600000000000001 111.727 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1900 ' ' ALA . . . . . 0.408 ' HA ' ' SD ' ' A' 1857 ' ' MET . . . -65.3 -36.22 83.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.264 -0.425 . . . . 1.0700000000000001 112.119 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.657 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 85.4 mttt -62.97 -53.99 50.59 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 112.1 0.408 . . . . 2.8500000000000001 112.1 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.657 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 34.8 Cg_exo -61.07 -29.74 88.05 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.155 1.903 . . . . 0.87 112.302 176.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -69.05 -47.37 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.821 0.343 . . . . 1.0700000000000001 110.634 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.86 94.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 1.0800000000000001 111.446 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 8.2 p -76.01 -25.2 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.395 . . . . 1.9199999999999999 111.696 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.63 -13.51 60.05 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.237 0.541 . . . . 1.1699999999999999 110.687 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -76.57 143.63 40.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.565 -0.743 . . . . 1.23 110.44 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.02 7.69 36.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.786 -0.643 . . . . 2.6699999999999999 110.552 -177.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.451 ' HB3' HG12 ' A' 1912 ' ' ILE . 50.0 t-20 -143.35 129.01 19.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.729 -0.669 . . . . 2.4900000000000002 109.544 -176.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.3 -41.27 96.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 2.2400000000000002 110.121 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1911 ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.0 OUTLIER -61.5 -25.1 67.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.41 -0.359 . . . . 2.4900000000000002 111.464 179.711 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.451 HG12 ' HB3' ' A' 1909 ' ' ASN . 46.5 mm -80.15 -47.23 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.58 0.228 . . . . 1.3899999999999999 110.504 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.94 96.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.555 -0.831 . . . . 0.57999999999999996 111.71 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1914 ' ' ALA . . . . . 0.489 ' HA ' ' CD ' ' A' 1917 ' ' LYS . . . -65.58 -26.13 67.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.228 0.537 . . . . 1.22 110.58 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.607 ' HB2' ' O ' ' A' 1911 ' ' GLU . 2.1 t-80 -71.96 -39.22 69.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 2.1800000000000002 109.814 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.522 HD11 ' CZ ' ' A' 1850 ' ' PHE . 88.8 mt -68.14 -55.03 17.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.627 -0.715 . . . . 1.1299999999999999 111.083 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.6 ' O ' ' HG2' ' A' 1921 ' ' GLN . 19.2 ptmt -58.14 -38.58 76.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 1.8100000000000001 111.334 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1918 ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' 1922 ' ' GLU . 20.9 t-80 -70.36 -28.57 65.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.611 -0.268 . . . . 2.52 110.772 -177.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.627 ' HB3' HG23 ' A' 1964 ' ' VAL . 52.2 mmt-85 -74.65 -33.13 62.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.847 0.356 . . . . 3.1499999999999999 110.461 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 13.9 t -71.22 -27.16 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.319 -0.623 . . . . 1.1200000000000001 109.319 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' 1917 ' ' LYS . 24.9 mm-40 -65.56 -42.46 91.83 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.947 -0.57 . . . . 1.22 109.465 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' 1918 ' ' HIS . 39.3 mm-40 -52.51 -50.56 62.54 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.749 -0.66 . . . . 1.49 109.686 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' 1923 ' ' LEU . 16.9 mt -61.98 -40.69 96.48 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.135 -0.939 . . . . 1.3700000000000001 111.111 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.46 -49.48 64.44 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.015 -0.612 . . . . 0.64000000000000001 112.314 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -63.78 -40.21 96.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.857 0.36 . . . . 0.85999999999999999 110.66 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.29 -51.48 13.2 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.806 -0.711 . . . . 0.28000000000000003 112.107 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.568 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 35.0 t -53.87 -49.04 69.37 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.857 0.463 . . . . 1.6599999999999999 110.628 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.8 t -55.62 -46.89 77.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.52 -0.764 . . . . 1.5 110.707 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.17 89.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 1.01 110.97 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.571 HD13 HG21 ' A' 1868 ' ' VAL . 0.4 OUTLIER -62.93 -47.84 81.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.476 -0.329 . . . . 1.0700000000000001 110.603 -177.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 23.7 m -68.99 -35.67 70.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.732 -0.387 . . . . 1.0800000000000001 111.663 -175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 15.1 t -72.66 -30.34 64.19 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.421 -0.511 . . . . 1.4099999999999999 110.38 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -69.82 -41.35 75.09 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 110.297 -0.26 . . . . 1.6799999999999999 110.297 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.28 91.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.46 -0.336 . . . . 1.03 110.57 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.73 -52.08 55.12 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.702 -0.761 . . . . 0.42999999999999999 111.668 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.09 -26.75 66.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.715 0.293 . . . . 1.3100000000000001 111.601 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.463 HD13 HD11 ' A' 1882 ' ' LEU . 2.8 tm? -74.32 -37.31 63.63 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.823 -0.436 . . . . 1.1200000000000001 109.823 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -69.4 -26.13 64.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.97 0.414 . . . . 1.46 111.108 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 72.7 m -67.74 -30.58 70.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.985 -0.552 . . . . 2.3599999999999999 110.523 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.1 m -150.25 78.35 7.9 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.036 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.98 -15.52 27.93 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.384 2.723 . . . . 0.72999999999999998 112.593 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 47.6 t -82.85 -20.82 34.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.524 -0.762 . . . . 1.95 111.506 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 24.5 t70 -73.76 108.67 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.131 0.491 . . . . 1.1599999999999999 110.858 -174.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 13.0 m -65.79 -35.87 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.662 -0.699 . . . . 1.96 112.133 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.443 ' O ' ' HG3' ' A' 1949 ' ' GLU . 48.9 t80 -63.08 -48.45 78.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.734 -0.212 . . . . 2.25 111.117 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 57.3 m -59.19 -42.47 90.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.02 0.438 . . . . 1.1200000000000001 110.621 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.447 ' O ' HG13 ' A' 1951 ' ' ILE . 38.7 ttpt -64.09 -40.14 95.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.851 -0.613 . . . . 1.8500000000000001 110.324 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.77 -42.55 97.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.963 -0.562 . . . . 3.1899999999999999 110.824 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' 1945 ' ' TYR . 45.0 mt-10 -61.76 -39.91 93.31 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.338 -0.392 . . . . 1.53 110.218 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.64 -41.74 99.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 1.0900000000000001 110.527 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' 1947 ' ' LYS . 83.9 mt -60.86 -42.63 93.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.926 -0.398 . . . . 1.1100000000000001 109.926 176.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' 1956 ' ' ARG . 62.8 mm-40 -60.51 -49.61 76.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.17 -0.468 . . . . 2.1099999999999999 110.231 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.576 ' O ' HG23 ' A' 1957 ' ' VAL . 72.3 m -57.27 -46.38 83.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.919 -0.582 . . . . 1.6799999999999999 111.047 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -58.47 -45.01 89.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.979 0.418 . . . . 1.0800000000000001 111.028 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' A' 1959 ' ' GLU . 99.5 mtt180 -59.22 -47.63 84.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.045 -0.525 . . . . 3.7200000000000002 110.397 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' 1952 ' ' GLU . 95.9 mtt180 -58.35 -42.22 86.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 3.6299999999999999 111.026 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.705 ' HB ' HG22 ' A' 1868 ' ' VAL . 62.0 t -63.07 -53.79 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 1.0600000000000001 110.57 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.1 t -58.33 -37.91 76.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 1.6599999999999999 110.915 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 1955 ' ' ARG . 50.3 mt-10 -62.68 -45.16 94.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.165 0.507 . . . . 1.8600000000000001 110.783 177.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.548 ' O ' HG21 ' A' 1964 ' ' VAL . 31.6 mmtp -69.59 -27.31 64.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 1.4199999999999999 111.86 -175.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.73 HG22 HD13 ' A' 1864 ' ' ILE . 42.4 t -54.23 -44.13 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 120.893 0.378 . . . . 1.0800000000000001 110.229 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 35.3 t -61.1 -39.47 90.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.742 -0.663 . . . . 1.54 110.495 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.407 ' HD2' ' HA ' ' A' 1960 ' ' LYS . 94.3 m-70 -66.8 -38.3 86.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 1.8899999999999999 110.292 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.627 HG23 ' HB3' ' A' 1919 ' ' ARG . 48.5 t -63.84 -52.58 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.1200000000000001 110.191 177.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 86.6 mt -54.34 -48.82 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.732 -0.667 . . . . 1.0800000000000001 111.382 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.47 -24.38 67.6 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.143 0.424 . . . . 1.1200000000000001 112.143 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -70.26 -25.2 63.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.694 0.283 . . . . 1.0900000000000001 111.366 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.711 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.1 mm? -73.67 -43.35 59.63 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.853 0.686 . . . . 1.1000000000000001 112.853 -174.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -65.85 -14.75 62.04 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.458 0.54 . . . . 1.7 112.458 -172.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.711 0.291 . . . . 1.46 111.495 179.757 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--O 1.233 0.189 0 CA-C-O 121.117 0.484 . . . . 1.28 110.143 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.8 -47.96 70.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.814 -0.63 . . . . 0.87 110.337 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.8 m -54.94 -41.26 70.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 1.3500000000000001 110.627 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' 1835 ' ' ILE . 71.6 mt -63.05 -48.29 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 1.0900000000000001 110.425 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 63.2 m -61.1 -44.62 97.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 1.1399999999999999 111.624 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -67.37 -34.31 77.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.949 0.404 . . . . 3.02 110.518 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.515 ' HB2' ' HB1' ' A' 1897 ' ' ALA . . . -64.62 -27.94 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 1.0600000000000001 110.953 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1835 ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' 1831 ' ' ILE . 72.5 mt -70.84 -47.64 61.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.997 -0.547 . . . . 1.1899999999999999 110.317 175.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -55.92 -51.56 67.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.808 -0.633 . . . . 0.80000000000000004 112.064 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -55.86 -35.98 67.07 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.411 0.523 . . . . 1.0 112.411 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.46 ' HB2' ' NE2' ' A' 1921 ' ' GLN . 94.5 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.728 0.299 . . . . 1.25 111.329 -175.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 78.3 t80 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 110.568 -0.16 . . . . 0.89000000000000001 110.568 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 10.6 p -59.14 -33.72 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.464 -0.334 . . . . 1.3400000000000001 111.288 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.16 -46.88 75.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.199 0.523 . . . . 1.71 110.4 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -73.68 -36.65 65.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.98 -0.555 . . . . 1.4299999999999999 110.879 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.646 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.8 tt0 -54.78 -55.41 30.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.334 -0.393 . . . . 1.21 110.67 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 13.2 p -61.57 -39.12 90.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.051 -0.522 . . . . 2.1099999999999999 111.232 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 28.2 m -69.57 -34.26 73.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.029 0.442 . . . . 1.1899999999999999 110.696 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 82.5 mtp -75.2 -47.32 28.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.639 -0.255 . . . . 1.1000000000000001 111.425 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -62.53 -36.91 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.47 -0.492 . . . . 1.0700000000000001 110.788 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -63.28 -48.15 79.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 3.6299999999999999 110.815 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.464 ' O ' HG22 ' A' 1864 ' ' ILE . 44.8 m -67.05 -38.16 85.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.959 -0.564 . . . . 1.1100000000000001 111.062 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.37 -48.52 77.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.664 0.268 . . . . 1.0900000000000001 110.643 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' 1858 ' ' VAL . 55.4 mtmt -62.11 -26.06 68.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.729 0.299 . . . . 1.8799999999999999 111.017 175.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -73.67 -46.03 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.568 -0.287 . . . . 1.1499999999999999 110.904 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.67 HD12 HG23 ' A' 1961 ' ' VAL . 1.6 pp -68.81 -25.56 30.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.35 . . . . 1.0800000000000001 110.084 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.639 ' HB2' HG13 ' A' 1961 ' ' VAL . . . -64.09 -37.06 86.09 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 115.978 -0.556 . . . . 0.98999999999999999 110.621 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 59.2 t -65.86 -37.43 79.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 1.45 109.852 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 60.6 m -64.01 -46.15 85.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 1.0600000000000001 111.075 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.83 HG22 ' HB ' ' A' 1957 ' ' VAL . 7.1 p -74.12 -29.78 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.723 0.297 . . . . 1.05 111.224 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -73.25 -26.71 61.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.331 0.586 . . . . 0.91000000000000003 109.445 176.402 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.1 tp10 -76.46 -33.13 58.72 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.436 -0.579 . . . . 0.56999999999999995 109.436 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.542 ' SD ' HD21 ' A' 1882 ' ' LEU . 3.7 mmt -53.52 -56.04 20.36 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.206 -0.452 . . . . 1.25 111.448 176.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.634 HG23 HG22 ' A' 1951 ' ' ILE . 11.1 p -60.15 -34.95 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.502 0.667 . . . . 1.27 110.968 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 53.9 m -75.09 -48.38 24.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.18 -0.918 . . . . 1.1499999999999999 111.095 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.846 ' HE3' ' HA ' ' A' 1874 ' ' LYS . 0.0 OUTLIER -70.58 -28.1 64.62 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 116.351 -0.386 . . . . 1.97 111.662 -177.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 22.7 t -61.89 -27.37 68.76 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.131 0.491 . . . . 1.74 110.345 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -81.61 -35.46 30.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.705 -0.679 . . . . 0.76000000000000001 111.71 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 24.0 p -109.59 -35.63 6.17 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.878 1.066 . . . . 1.71 113.878 -171.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 75.2 m -148.62 89.16 5.11 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.802 0.334 . . . . 1.4299999999999999 111.363 -169.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.36 -24.97 64.09 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.973 2.448 . . . . 1.02 112.782 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.2 -22.8 62.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 2.2400000000000002 111.106 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.66 ' O ' ' HG ' ' A' 1885 ' ' LEU . 70.6 mm-40 -75.05 -21.89 58.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.432 -0.349 . . . . 1.8899999999999999 110.754 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.542 HD21 ' SD ' ' A' 1871 ' ' MET . 90.2 mt -66.07 -35.83 81.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.521 . . . . 1.1399999999999999 111.746 -173.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -58.58 -55.14 32.42 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.741 -0.743 . . . . 0.42999999999999999 112.998 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' 1881 ' ' GLU . 49.2 Cg_exo -59.34 -39.06 80.78 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.679 2.253 . . . . 1.0 112.75 174.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' 1881 ' ' GLU . 68.6 mt -65.36 -41.08 94.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 110.306 -0.257 . . . . 1.0700000000000001 110.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -55.34 -36.36 66.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 1.1000000000000001 109.881 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -73.66 -43.76 58.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.042 -0.527 . . . . 1.4299999999999999 111.475 -176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.11 -37.11 80.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.847 0.356 . . . . 1.0700000000000001 110.439 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.419 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 45.5 tp -64.31 -32.61 74.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 1.05 109.863 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 53.5 m -72.91 -49.54 28.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 1.0800000000000001 111.459 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 81.0 p -70.55 -48.02 57.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.131 0.491 . . . . 1.72 111.007 -172.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.408 ' HB3' HG21 ' A' 1864 ' ' ILE . 1.0 OUTLIER -64.94 -29.3 70.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 0.80000000000000004 111.367 178.78 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 41.4 t80 -64.07 -42.81 96.85 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.889 -0.412 . . . . 1.05 109.889 172.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.24 -32.84 57.52 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.828 -0.624 . . . . 0.34000000000000002 112.361 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -63.89 -53.88 43.5 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.369 -0.604 . . . . 3.48 109.369 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' 1861 ' ' ALA . 83.2 mt -57.26 -44.61 84.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.303 -0.862 . . . . 1.45 111.058 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1897 ' ' ALA . . . . . 0.515 ' HB1' ' HB2' ' A' 1834 ' ' ALA . . . -60.19 -40.66 90.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.58 -0.736 . . . . 1.1499999999999999 111.801 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 18.3 t -76.81 -38.07 54.58 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.955 -0.298 . . . . 1.8899999999999999 110.72 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.543 ' O ' ' HD2' ' A' 1902 ' ' PRO . 26.2 mt-30 -68.22 -25.27 65.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.555 -0.293 . . . . 1.5600000000000001 111.645 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.68 -25.64 64.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 1.0700000000000001 111.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.831 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 1.5 mmmm -62.06 -55.55 39.85 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.097 -0.501 . . . . 2.8500000000000001 111.297 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.831 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 11.1 Cg_exo -72.94 -29.66 11.87 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.2 1.933 . . . . 0.87 112.386 175.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.74 89.1 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.888 0.375 . . . . 1.0700000000000001 110.71 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.4 90.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 1.0800000000000001 111.533 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 10.0 p -75.73 -24.8 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.827 0.346 . . . . 1.9199999999999999 111.426 -176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.43 -10.76 58.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.025 0.44 . . . . 1.1699999999999999 111.072 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -79.22 155.39 28.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.913 -0.585 . . . . 1.23 110.693 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -71.24 -66.66 0.59 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.052 0.453 . . . . 2.6699999999999999 110.936 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.891 ' HB2' HG12 ' A' 1912 ' ' ILE . 42.2 m-80 -84.93 150.52 24.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.94 -0.573 . . . . 2.4900000000000002 110.95 -176.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -63.54 -38.72 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.799 -0.445 . . . . 2.2400000000000002 109.799 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.7 -40.75 66.28 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.269 -0.423 . . . . 2.4900000000000002 110.987 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.891 HG12 ' HB2' ' A' 1909 ' ' ASN . 37.6 mm -62.99 -51.18 75.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.223 -0.444 . . . . 1.3899999999999999 110.167 -177.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.73 -39.79 95.43 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.757 -0.735 . . . . 0.57999999999999996 112.018 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.24 -40.7 94.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.936 0.398 . . . . 1.22 110.673 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.531 ' O ' ' HG2' ' A' 1919 ' ' ARG . 30.8 m-70 -64.45 -47.51 78.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.208 -0.451 . . . . 2.1800000000000002 110.539 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' 1912 ' ' ILE . 93.7 mt -56.36 -53.87 34.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.558 0.218 . . . . 1.1299999999999999 111.328 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.64 ' O ' ' HG2' ' A' 1921 ' ' GLN . 16.7 ptpt -60.32 -38.97 85.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.402 -0.363 . . . . 1.8100000000000001 110.93 -177.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 60.3 m170 -70.5 -30.12 66.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.699 0.285 . . . . 2.52 111.224 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.755 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 21.8 mmt85 -71.99 -31.48 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.415 -0.357 . . . . 3.1499999999999999 110.658 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.51 HG13 ' HA ' ' A' 1897 ' ' ALA . 23.3 t -74.3 -27.52 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.717 -0.475 . . . . 1.1200000000000001 109.717 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' 1917 ' ' LYS . 19.1 mm-40 -63.17 -38.88 92.9 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.182 -0.673 . . . . 1.22 109.182 172.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.921 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 13.6 mm-40 -56.02 -51.36 68.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.091 -0.959 . . . . 1.49 110.007 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.39 -41.24 93.41 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.316 -0.857 . . . . 1.3700000000000001 110.823 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.44 -51.79 49.22 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.928 -0.653 . . . . 0.64000000000000001 112.111 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -60.98 -46.23 91.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.967 0.413 . . . . 0.85999999999999999 110.581 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.6 -50.68 41.3 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.729 -0.748 . . . . 0.28000000000000003 112.637 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.419 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 27.4 t -56.7 -49.86 73.86 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.384 0.274 . . . . 1.6599999999999999 110.713 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 20.3 m -50.9 -51.23 53.94 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.081 0.467 . . . . 1.5 110.622 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.26 -44.7 90.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.669 . . . . 1.01 111.469 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.525 HD12 HG21 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.83 -53.22 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 1.0700000000000001 110.687 -177.08 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 22.7 m -66.35 -29.45 46.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 1.0800000000000001 111.111 -176.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 90.5 m -72.31 -43.32 64.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.99 -0.55 . . . . 1.4099999999999999 110.825 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.887 ' HE3' HG22 ' A' 1946 ' ' THR . 36.4 tptt -68.93 -32.74 72.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.358 -0.383 . . . . 1.6799999999999999 110.548 -176.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.08 87.19 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.289 -0.414 . . . . 1.03 111.495 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.46 93.88 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.769 . . . . 0.42999999999999999 111.916 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.33 -31.91 62.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 1.3100000000000001 110.86 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.421 HD11 ' O ' ' A' 1937 ' ' LEU . 2.4 tm? -71.87 -32.35 67.39 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.767 -0.457 . . . . 1.1200000000000001 109.767 -178.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -70.27 -25.64 63.45 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.662 -0.415 . . . . 1.46 110.749 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 75.7 m -76.06 -18.42 59.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 2.3599999999999999 110.629 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.8 m -155.14 73.06 5.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.409 ' HA ' HD11 ' A' 1937 ' ' LEU . 27.7 Cg_endo -63.36 -17.48 60.26 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.905 2.404 . . . . 0.72999999999999998 112.786 -174.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 19.4 m -91.08 -12.21 36.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.804 -0.634 . . . . 1.95 110.795 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.68 113.92 13.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 1.1599999999999999 111.296 -174.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.5 m -68.16 -35.3 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 1.96 112.233 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.51 -54.65 44.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.851 0.358 . . . . 2.25 110.728 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.887 HG22 ' HE3' ' A' 1933 ' ' LYS . 26.4 m -62.05 -41.56 98.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.125 -0.489 . . . . 1.1200000000000001 110.76 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' 1951 ' ' ILE . 39.3 ttpt -63.24 -44.79 94.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.58 -0.737 . . . . 1.8500000000000001 110.819 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.494 ' HE3' ' OE1' ' A' 1952 ' ' GLU . 27.5 ttpt -52.73 -50.58 63.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.039 -0.528 . . . . 3.1899999999999999 111.138 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.474 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 17.4 mt-10 -64.86 -33.14 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.99 -0.55 . . . . 1.53 111.604 -175.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.54 -39.83 77.23 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.524 -0.547 . . . . 1.0900000000000001 109.524 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.634 HG22 HG23 ' A' 1872 ' ' VAL . 82.6 mt -60.7 -38.67 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.892 -0.594 . . . . 1.1100000000000001 109.701 174.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' 1956 ' ' ARG . 43.8 mt-10 -65.86 -47.16 75.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 2.1099999999999999 110.413 174.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.523 ' O ' HG21 ' A' 1957 ' ' VAL . 98.6 m -56.41 -41.11 75.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.37 -0.377 . . . . 1.6799999999999999 110.764 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.22 97.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 1.0800000000000001 111.721 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' 1952 ' ' GLU . 14.0 ptm180 -74.42 -22.4 59.16 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.66 -0.416 . . . . 3.7200000000000002 110.804 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' 1952 ' ' GLU . 79.3 mtt180 -72.76 -49.79 28.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 3.6299999999999999 110.443 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.83 ' HB ' HG22 ' A' 1868 ' ' VAL . 80.5 t -62.55 -43.72 98.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.079 -0.51 . . . . 1.0600000000000001 111.449 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 6.0 p -61.57 -31.62 71.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.334 . . . . 1.6599999999999999 111.288 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -70.37 -35.11 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.166 0.508 . . . . 1.8600000000000001 110.857 176.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.921 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.4 mmtt -69.23 -36.85 77.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.99 -0.55 . . . . 1.4199999999999999 110.46 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.67 HG23 HD12 ' A' 1864 ' ' ILE . 59.5 t -53.43 -52.24 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 O-C-N 123.46 0.475 . . . . 1.0800000000000001 111.214 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1962 ' ' SER . . . . . 0.513 ' HA ' HD11 ' A' 1965 ' ' LEU . 15.7 m -60.18 -37.29 79.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 1.54 110.944 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.755 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 36.1 m80 -65.83 -35.77 81.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 1.8899999999999999 110.787 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.621 HG22 ' HB3' ' A' 1919 ' ' ARG . 54.4 t -69.65 -45.97 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.939 0.399 . . . . 1.1200000000000001 110.161 177.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.52 ' O ' ' HG2' ' A' 1969 ' ' GLN . 61.8 mt -55.35 -47.85 75.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.592 . . . . 1.0800000000000001 110.722 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -65.3 -25.85 67.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.8 -0.636 . . . . 1.1200000000000001 111.721 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1967 ' ' ALA . . . . . 0.584 ' HB1' ' HG3' ' A' 1919 ' ' ARG . . . -68.51 -39.98 81.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 1.0900000000000001 110.32 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.646 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.3 mm? -64.71 -37.37 87.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 1.1000000000000001 110.399 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1969 ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' 1965 ' ' LEU . 80.1 mm-40 -67.04 -14.97 63.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.884 -0.598 . . . . 1.7 111.38 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.028 0.442 . . . . 1.46 110.833 177.86 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 120.853 0.358 . . . . 1.28 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.64 -45.15 84.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.411 -0.359 . . . . 0.87 110.446 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.0 m -61.31 -37.82 84.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 1.3500000000000001 110.411 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.445 ' O ' HG13 ' A' 1835 ' ' ILE . 68.2 mt -65.15 -42.21 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 1.0900000000000001 110.197 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 31.2 m -63.18 -47.95 80.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.997 -0.547 . . . . 1.1399999999999999 111.058 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.14 -39.97 88.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.118 0.485 . . . . 3.02 110.458 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.542 ' HB2' ' CB ' ' A' 1897 ' ' ALA . . . -60.24 -36.28 77.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.571 -0.741 . . . . 1.0600000000000001 111.382 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1835 ' ' ILE . . . . . 0.597 ' HA ' HE22 ' A' 1921 ' ' GLN . 43.3 mt -67.19 -51.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.073 0.463 . . . . 1.1899999999999999 110.493 176.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1836 ' ' ASN . . . . . 0.474 ' N ' HD21 ' A' 1836 ' ' ASN . 0.9 OUTLIER -64.83 -37.54 87.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.75 -0.659 . . . . 0.80000000000000004 111.868 -172.167 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -64.14 -35.87 82.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.616 0.246 . . . . 1.0 111.35 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 1.25 110.875 179.238 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 88.6 t80 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.896 0.379 . . . . 0.89000000000000001 110.92 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -61.62 -35.55 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.95 -0.568 . . . . 1.3400000000000001 111.403 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.03 -50.98 52.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.968 0.413 . . . . 1.71 110.147 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.452 ' CZ ' ' HB2' ' A' 1902 ' ' PRO . 49.4 m-85 -61.57 -37.07 82.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.605 . . . . 1.4299999999999999 111.172 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.656 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.3 tt0 -61.69 -54.4 43.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.622 -0.263 . . . . 1.21 110.708 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 28.5 m -57.05 -34.81 68.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.488 . . . . 2.1099999999999999 110.763 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 56.3 m -74.36 -49.36 23.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.305 -0.407 . . . . 1.1899999999999999 111.307 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.12 -35.8 81.93 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 112.03 0.381 . . . . 1.1000000000000001 112.03 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.74 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.3 m -64.81 -35.93 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.869 -0.733 . . . . 1.0700000000000001 110.027 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -66.89 -47.08 72.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.804 0.335 . . . . 3.6299999999999999 110.266 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.45 ' HB ' HD22 ' A' 1896 ' ' LEU . 4.4 m -63.37 -36.15 82.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.479 . . . . 1.1100000000000001 110.691 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.537 ' O ' HG13 ' A' 1864 ' ' ILE . . . -65.4 -45.17 85.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 1.0900000000000001 110.894 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.74 ' HG3' ' O ' ' A' 1858 ' ' VAL . 82.5 mttt -62.61 -32.63 73.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 1.8799999999999999 110.171 177.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.59 95.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 1.1499999999999999 111.278 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.702 HD13 HG22 ' A' 1961 ' ' VAL . 1.3 pp -75.75 -27.27 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.189 -0.604 . . . . 1.0800000000000001 109.871 177.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.778 ' HB1' HG12 ' A' 1961 ' ' VAL . . . -70.42 -37.74 74.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.25 -0.432 . . . . 0.98999999999999999 111.481 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.526 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.9 p -73.63 -24.39 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.33 0.586 . . . . 1.45 109.875 176.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.541 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.5 m -69.92 -53.56 17.37 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.877 -0.601 . . . . 1.0600000000000001 110.389 174.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.49 HG13 ' HA ' ' A' 1865 ' ' ALA . 2.6 p -62.64 -37.68 79.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.488 -0.324 . . . . 1.05 111.47 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.526 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -64.43 -29.94 70.99 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.089 0.471 . . . . 0.91000000000000003 109.795 178.201 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.86 -37.7 47.66 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 116.007 -0.542 . . . . 0.56999999999999995 110.338 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' 1867 ' ' THR . 86.9 mtp -63.66 -44.2 94.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.328 . . . . 1.25 110.94 -176.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.443 HG21 ' HA ' ' A' 1951 ' ' ILE . 7.8 p -62.61 -29.33 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 1.27 110.451 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 98.1 m -81.01 -55.12 4.99 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.104 -0.953 . . . . 1.1499999999999999 111.085 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.45 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 6.8 mmpt? -59.0 -30.72 68.2 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.972 -0.558 . . . . 1.97 112.472 -174.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.404 ' OG ' HD21 ' A' 1950 ' ' LEU . 50.9 m -55.35 -23.98 26.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.127 0.489 . . . . 1.74 111.676 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -76.33 -39.74 53.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.001 -0.545 . . . . 0.76000000000000001 111.529 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 41.6 p -109.48 -40.05 5.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.806 0.669 . . . . 1.71 112.806 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 69.0 m -133.35 95.65 18.01 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.202 -0.454 . . . . 1.4299999999999999 110.975 -167.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -78.1 -18.09 13.06 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.564 2.176 . . . . 1.02 113.166 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.73 -14.28 35.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.813 -0.355 . . . . 2.2400000000000002 110.872 -177.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -80.47 -10.74 59.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.033 0.444 . . . . 1.8899999999999999 110.499 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.658 HD13 HD13 ' A' 1937 ' ' LEU . 96.1 mt -68.78 -37.72 79.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.995 -0.548 . . . . 1.1399999999999999 111.08 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -60.87 -54.38 37.37 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-O 119.687 -0.507 . . . . 0.42999999999999999 112.95 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.97 -41.73 62.2 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.82 2.347 . . . . 1.0 112.645 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 75.8 mt -69.84 -44.0 70.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.541 -0.299 . . . . 1.0700000000000001 110.684 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -58.2 -32.42 68.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.087 0.47 . . . . 1.1000000000000001 109.848 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -68.43 -47.08 68.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.685 . . . . 1.4299999999999999 110.503 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -68.02 -44.66 76.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 1.0700000000000001 110.737 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.475 ' HB2' HG21 ' A' 1867 ' ' THR . 48.0 tp -53.52 -40.15 65.2 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.374 0.607 . . . . 1.05 109.818 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 7.3 m -61.79 -54.23 45.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.89 -1.05 . . . . 1.0800000000000001 111.71 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 19.6 m -70.9 -38.66 73.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.139 -0.482 . . . . 1.72 111.998 -173.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.452 ' HB3' HG22 ' A' 1864 ' ' ILE . 2.7 m-20 -69.39 -29.77 67.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.86 -0.336 . . . . 0.80000000000000004 110.693 177.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1893 ' ' TYR . . . . . 0.401 ' CE2' HG23 ' A' 1831 ' ' ILE . 28.3 t80 -64.66 -46.07 84.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.899 -0.32 . . . . 1.05 110.141 173.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.96 -34.12 61.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.999 -0.619 . . . . 0.34000000000000002 111.953 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 81.9 mtt180 -66.32 -48.78 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.188 -0.301 . . . . 3.48 110.188 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.45 HD22 ' HB ' ' A' 1860 ' ' THR . 12.6 mt -56.93 -48.94 77.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.279 -0.419 . . . . 1.45 111.325 176.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1897 ' ' ALA . . . . . 0.579 ' HA ' HG11 ' A' 1920 ' ' VAL . . . -62.41 -32.79 73.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.159 -0.473 . . . . 1.1499999999999999 111.521 -177.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 35.1 t -72.64 -43.52 63.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.184 -0.462 . . . . 1.8899999999999999 110.212 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.445 ' O ' ' HD2' ' A' 1902 ' ' PRO . 18.7 mt-30 -71.72 -26.04 62.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 1.5600000000000001 111.686 -178.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.7 -27.32 65.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.379 -0.373 . . . . 1.0700000000000001 111.867 -177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.788 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 56.8 mtpt -63.03 -57.32 21.74 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.462 -0.335 . . . . 2.8500000000000001 111.327 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.788 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 16.1 Cg_exo -68.93 -29.7 27.53 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.954 1.769 . . . . 0.87 111.988 176.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.59 94.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 1.0700000000000001 110.838 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.4 96.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.73 -0.668 . . . . 1.0800000000000001 111.488 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 7.4 p -75.91 -24.54 16.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-O 120.725 0.298 . . . . 1.9199999999999999 111.369 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -73.67 -13.44 60.99 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.901 0.382 . . . . 1.1699999999999999 111.073 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -75.65 171.28 14.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.951 -0.568 . . . . 1.23 110.215 177.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -92.94 -2.82 55.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.361 0.6 . . . . 2.6699999999999999 110.439 -177.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.904 ' ND2' ' HB ' ' A' 1912 ' ' ILE . 0.2 OUTLIER -147.31 162.56 38.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.44 -0.8 . . . . 2.4900000000000002 111.093 -173.144 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -84.45 -34.95 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.141 -0.481 . . . . 2.2400000000000002 110.419 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -49.22 78.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.779 0.323 . . . . 2.4900000000000002 111.285 -177.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.904 ' HB ' ' ND2' ' A' 1909 ' ' ASN . 22.5 mm -62.55 -42.85 97.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.015 -0.539 . . . . 1.3899999999999999 110.475 178.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -64.18 -44.32 95.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.637 -0.792 . . . . 0.57999999999999996 111.965 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1914 ' ' ALA . . . . . 0.657 ' HA ' ' HE3' ' A' 1917 ' ' LYS . . . -61.02 -40.25 92.83 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 120.907 0.384 . . . . 1.22 110.435 177.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.401 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.6 t-160 -61.27 -34.98 76.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.606 -0.725 . . . . 2.1800000000000002 110.266 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' 1920 ' ' VAL . 91.2 mt -68.99 -54.67 18.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.021 0.439 . . . . 1.1299999999999999 110.451 175.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' A' 1914 ' ' ALA . 51.5 mtmt -56.29 -46.87 79.57 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.483 -0.78 . . . . 1.8100000000000001 111.019 -177.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -63.9 -31.79 73.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 2.52 111.858 -177.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.521 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 22.0 mmt180 -78.23 -24.22 47.08 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.832 -0.347 . . . . 3.1499999999999999 111.225 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.579 HG11 ' HA ' ' A' 1897 ' ' ALA . 56.0 t -73.74 -30.65 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.365 0.602 . . . . 1.1200000000000001 109.461 173.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.597 HE22 ' HA ' ' A' 1835 ' ' ILE . 19.7 mm-40 -62.68 -25.25 68.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.835 -0.621 . . . . 1.22 109.831 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.718 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 6.5 mm-40 -61.85 -47.46 84.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.51 -0.768 . . . . 1.49 110.815 177.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.669 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 0.9 OUTLIER -70.8 -27.57 63.99 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 108.635 -0.876 . . . . 1.3700000000000001 108.635 175.071 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1924 ' ' GLY . . . . . 0.43 ' O ' HD11 ' A' 1835 ' ' ILE . . . -56.28 -36.56 69.52 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.777 -0.725 . . . . 0.64000000000000001 111.948 177.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -93.44 -46.9 7.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.746 0.308 . . . . 0.85999999999999999 110.437 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -65.5 -52.89 35.52 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.226 -0.511 . . . . 0.28000000000000003 113.145 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.669 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 93.1 m -65.82 -33.9 76.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.697 0.248 . . . . 1.6599999999999999 110.812 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 32.1 t -58.32 -50.86 72.14 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.423 -0.584 . . . . 1.5 109.423 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.44 98.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.419 -0.81 . . . . 1.01 110.644 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.699 HD13 HG22 ' A' 1957 ' ' VAL . 0.5 OUTLIER -58.71 -50.13 75.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.023 -0.535 . . . . 1.0700000000000001 111.261 -177.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 18.8 m -69.3 -26.26 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.302 . . . . 1.0800000000000001 110.799 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.5 m -70.67 -46.11 63.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 1.4099999999999999 110.377 176.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -61.66 -37.24 83.33 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.23 -0.441 . . . . 1.6799999999999999 110.746 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.12 84.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.693 -0.231 . . . . 1.03 111.03 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -58.91 -40.75 95.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.619 -0.8 . . . . 0.42999999999999999 111.995 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.69 71.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.884 0.373 . . . . 1.3100000000000001 111.084 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.658 HD13 HD13 ' A' 1882 ' ' LEU . 3.3 tm? -70.04 -38.56 75.89 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.599 -0.519 . . . . 1.1200000000000001 109.599 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -71.81 -25.05 61.84 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.218 0.533 . . . . 1.46 110.989 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 48.7 t -71.92 -24.53 61.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.728 -0.669 . . . . 2.3599999999999999 110.147 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1940 ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' 1942 ' ' SER . 61.3 m -152.15 72.84 7.76 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.974 -0.38 . . . . 1.0 109.974 177.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.16 11.7 0.16 Allowed 'Trans proline' 0 N--CA 1.48 0.711 0 C-N-CA 123.385 2.723 . . . . 0.72999999999999998 113.568 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1942 ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' 1940 ' ' SER . 50.5 m -114.81 4.5 14.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.228 -0.442 . . . . 1.95 111.117 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1943 ' ' ASP . . . . . 0.415 ' OD1' ' HB ' ' A' 1946 ' ' THR . 0.7 OUTLIER -85.06 168.2 15.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.741 -0.466 . . . . 1.1599999999999999 109.741 178.216 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 96.3 t -117.09 -42.35 2.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.334 -0.394 . . . . 1.96 110.605 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' 1949 ' ' GLU . 33.6 t80 -63.83 -51.47 64.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.013 -0.539 . . . . 2.25 111.705 -174.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.415 ' HB ' ' OD1' ' A' 1943 ' ' ASP . 98.2 m -66.09 -39.75 90.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.139 -0.482 . . . . 1.1200000000000001 110.409 -176.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -61.6 -43.99 97.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.733 -0.667 . . . . 1.8500000000000001 110.159 175.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' 1952 ' ' GLU . 54.3 tttm -60.7 -41.54 95.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 3.1899999999999999 110.569 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' 1945 ' ' TYR . 32.5 mt-10 -58.75 -38.01 77.48 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.531 -0.304 . . . . 1.53 110.841 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.488 ' HG ' HD22 ' A' 1930 ' ' LEU . 8.9 tt -67.59 -42.04 83.11 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.034 -0.358 . . . . 1.0900000000000001 110.034 178.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.61 ' O ' ' HG3' ' A' 1955 ' ' ARG . 97.6 mt -56.48 -49.52 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 1.1100000000000001 109.987 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' 1948 ' ' LYS . 61.0 mm-40 -63.42 -42.18 98.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 2.1099999999999999 110.539 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.484 ' O ' HG21 ' A' 1957 ' ' VAL . 34.2 t -62.37 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 1.6799999999999999 110.613 -178.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.33 87.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 1.0800000000000001 110.658 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' A' 1951 ' ' ILE . 78.5 mtp180 -58.93 -44.49 91.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 3.7200000000000002 110.522 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' 1960 ' ' LYS . 23.9 mtm180 -69.39 -39.31 78.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 3.6299999999999999 110.975 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.699 HG22 HD13 ' A' 1930 ' ' LEU . 97.4 t -64.01 -42.68 96.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.479 -0.328 . . . . 1.0600000000000001 110.84 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 57.4 m -57.42 -36.75 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 1.6599999999999999 110.87 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' 1955 ' ' ARG . 43.3 mt-10 -67.95 -31.38 71.08 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.134 0.493 . . . . 1.8600000000000001 110.837 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.718 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.3 mmtt -70.82 -37.17 73.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 1.4199999999999999 110.086 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.778 HG12 ' HB1' ' A' 1865 ' ' ALA . 20.4 t -59.77 -46.71 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.263 -0.426 . . . . 1.0800000000000001 110.36 177.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 18.2 m -56.39 -35.42 67.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.732 -0.667 . . . . 1.54 110.743 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.521 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 29.3 m80 -72.97 -41.83 63.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 1.8899999999999999 111.518 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' 1960 ' ' LYS . 91.1 t -62.08 -48.88 86.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.854 0.359 . . . . 1.1200000000000001 110.43 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.19 -42.99 87.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.911 -0.586 . . . . 1.0800000000000001 110.723 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.36 -37.74 83.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 1.1200000000000001 111.187 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.73 96.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.431 . . . . 1.0900000000000001 111.028 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.656 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.8 mm? -65.31 -48.43 73.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 1.1000000000000001 110.682 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1969 ' ' GLN . . . . . 0.63 ' N ' HE21 ' A' 1969 ' ' GLN . 0.0 OUTLIER -60.87 -24.98 66.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.926 -0.579 . . . . 1.7 111.259 -176.349 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 1.46 110.804 178.874 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 121.158 0.504 . . . . 1.28 109.973 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.98 -34.7 76.65 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.566 -0.743 . . . . 0.87 110.51 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.6 m -65.34 -36.73 84.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.746 -0.661 . . . . 1.3500000000000001 110.88 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.403 ' O ' HG13 ' A' 1835 ' ' ILE . 52.6 mt -67.44 -37.27 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.365 . . . . 1.0900000000000001 110.33 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 12.4 m -65.03 -36.11 83.32 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.074 0.464 . . . . 1.1399999999999999 110.515 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.64 -40.03 95.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 3.02 110.171 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1834 ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.46 93.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.615 -0.72 . . . . 1.0600000000000001 111.095 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1835 ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' 1924 ' ' GLY . 44.6 mt -61.36 -40.56 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.29 0.567 . . . . 1.1899999999999999 110.479 178.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -69.37 -48.71 60.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.025 -0.534 . . . . 0.80000000000000004 111.644 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -62.5 -34.22 76.44 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.938 0.347 . . . . 1.0 111.938 -175.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.757 0.313 . . . . 1.25 111.103 -178.066 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.568 ' HE1' HD13 ' A' 1916 ' ' ILE . 73.0 t80 . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.762 0.315 . . . . 0.89000000000000001 110.47 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 5.7 p -55.56 -38.21 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.796 -0.638 . . . . 1.3400000000000001 111.475 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.48 -55.93 15.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.329 . . . . 1.71 110.782 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -63.71 -34.44 77.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 1.4299999999999999 110.972 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.607 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 51.4 tt0 -59.63 -57.23 13.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.213 -0.449 . . . . 1.21 110.72 176.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 56.9 m -58.53 -39.84 81.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.915 -0.584 . . . . 2.1099999999999999 111.14 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 23.8 m -65.84 -46.69 77.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.834 0.35 . . . . 1.1899999999999999 110.895 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 67.8 mtp -66.53 -43.46 85.1 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.183 0.438 . . . . 1.1000000000000001 112.183 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.68 ' O ' ' HG3' ' A' 1862 ' ' LYS . 24.4 m -64.12 -33.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 119.964 -0.695 . . . . 1.0700000000000001 110.473 -178.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -62.01 -51.42 68.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 3.6299999999999999 110.451 175.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.517 ' O ' HG21 ' A' 1864 ' ' ILE . 21.5 m -64.7 -35.77 82.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 1.1100000000000001 111.099 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.521 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.66 -47.51 80.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 1.0900000000000001 110.829 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.68 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.0 mttt -65.28 -29.23 69.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.943 0.402 . . . . 1.8799999999999999 110.282 176.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.59 -44.36 78.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 1.1499999999999999 110.993 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.58 HD11 HG23 ' A' 1961 ' ' VAL . 1.4 pp -74.65 -23.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.514 -0.474 . . . . 1.0800000000000001 110.035 178.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.741 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.59 -38.72 80.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.168 -0.469 . . . . 0.98999999999999999 111.361 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.7 p -75.01 -25.11 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.45 -0.5 . . . . 1.45 110.01 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.544 ' O ' ' HG3' ' A' 1871 ' ' MET . 91.8 m -64.78 -56.52 13.06 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.058 -0.519 . . . . 1.0600000000000001 110.792 173.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.673 HG23 HD11 ' A' 1930 ' ' LEU . 2.4 p -60.59 -39.51 81.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.455 -0.339 . . . . 1.05 111.378 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -25.41 65.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.49 . . . . 0.91000000000000003 110.012 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -75.62 -38.3 59.09 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.461 -0.57 . . . . 0.56999999999999995 109.461 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' 1867 ' ' THR . 85.4 mtp -62.24 -45.43 93.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.866 -0.606 . . . . 1.25 111.364 -175.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' 1954 ' ' ALA . 7.1 p -60.17 -43.85 94.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.168 0.509 . . . . 1.27 110.855 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 21.0 m -69.57 -43.01 73.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.511 -0.768 . . . . 1.1499999999999999 111.232 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.545 ' HG3' HD13 ' A' 1885 ' ' LEU . 5.3 mmpt? -68.95 -32.41 71.98 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.61 -0.268 . . . . 1.97 111.427 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 26.0 t -60.49 -24.36 65.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.882 0.372 . . . . 1.74 110.483 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -81.52 -36.09 29.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.895 -0.593 . . . . 0.76000000000000001 111.826 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 25.8 p -107.62 -36.99 6.29 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.833 0.679 . . . . 1.71 112.833 -172.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 72.0 m -142.01 88.47 9.27 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.993 -0.549 . . . . 1.4299999999999999 110.116 -171.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.18 -29.29 55.79 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.507 2.138 . . . . 1.02 113.214 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.8 -18.62 53.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.963 0.411 . . . . 2.2400000000000002 110.499 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.39 -11.19 60.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.093 -0.503 . . . . 1.8899999999999999 110.511 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.682 ' HB3' ' HB2' ' A' 1934 ' ' ALA . 96.4 mt -69.3 -28.4 66.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.766 -0.652 . . . . 1.1399999999999999 110.861 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1883 ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.62 -55.89 24.56 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.774 -0.727 . . . . 0.42999999999999999 113.103 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' 1883 ' ' GLY . 12.9 Cg_endo -59.14 -37.46 92.06 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.444 2.096 . . . . 1.0 112.571 175.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.545 HD13 ' HG3' ' A' 1874 ' ' LYS . 80.1 mt -71.35 -42.36 68.6 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.155 -0.218 . . . . 1.0700000000000001 111.089 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -59.66 -33.44 71.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.24 0.543 . . . . 1.1000000000000001 109.723 174.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.16 -43.71 73.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.593 -0.73 . . . . 1.4299999999999999 110.338 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -67.8 -42.55 81.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 1.0700000000000001 110.984 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 36.4 tp -60.08 -32.31 70.83 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.872 -0.418 . . . . 1.05 109.872 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 53.7 m -72.9 -49.82 27.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.964 -0.562 . . . . 1.0800000000000001 111.434 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 54.6 p -67.62 -50.06 59.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.406 0.622 . . . . 1.72 111.293 -174.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.16 -31.32 69.89 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.119 -0.946 . . . . 0.80000000000000004 111.482 -176.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1893 ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 43.6 t80 -64.91 -40.27 94.82 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.604 -0.438 . . . . 1.05 110.082 174.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.98 -31.1 58.3 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.809 -0.632 . . . . 0.34000000000000002 112.109 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -68.04 -45.47 73.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 3.48 110.17 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' 1861 ' ' ALA . 20.1 mt -61.36 -41.38 96.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.402 -0.363 . . . . 1.45 110.896 177.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.38 98.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.183 -0.462 . . . . 1.1499999999999999 111.426 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 5.7 p -77.56 -36.55 52.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.527 -0.306 . . . . 1.8899999999999999 111.419 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.538 ' O ' ' HD2' ' A' 1902 ' ' PRO . 20.9 mt-30 -74.74 -24.11 58.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.765 -0.198 . . . . 1.5600000000000001 111.391 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.83 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.76 0.314 . . . . 1.0700000000000001 111.476 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.816 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 7.9 mmmm -58.74 -53.32 67.5 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 116.302 -0.408 . . . . 2.8500000000000001 111.507 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.816 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 11.0 Cg_exo -73.11 -28.84 12.37 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.26 1.973 . . . . 0.87 112.305 174.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.05 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 1.0700000000000001 110.768 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1904 ' ' ALA . . . . . 0.458 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -59.4 -46.48 88.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.733 -0.667 . . . . 1.0800000000000001 111.416 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 12.4 p -75.57 -23.36 16.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 1.9199999999999999 111.044 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.53 -20.62 56.71 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.77 0.319 . . . . 1.1699999999999999 111.134 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -72.33 139.77 48.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.237 -0.438 . . . . 1.23 110.259 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.11 -28.61 18.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.048 0.451 . . . . 2.6699999999999999 110.094 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.466 ' HB3' ' CG1' ' A' 1912 ' ' ILE . 51.7 t-20 -87.69 122.24 31.12 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.322 -0.992 . . . . 2.4900000000000002 108.322 172.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.28 -36.19 77.26 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.401 -0.363 . . . . 2.2400000000000002 111.457 -173.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.67 -35.19 80.06 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.432 -0.349 . . . . 2.4900000000000002 111.047 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' 1916 ' ' ILE . 41.6 mm -60.67 -51.02 77.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.741 -0.466 . . . . 1.3899999999999999 109.741 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1913 ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -60.41 -42.09 98.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.978 -0.629 . . . . 0.57999999999999996 112.585 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.4 89.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 1.22 110.609 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.513 ' O ' ' HG2' ' A' 1919 ' ' ARG . 24.0 m-70 -66.42 -40.16 89.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.69 -0.686 . . . . 2.1800000000000002 111.335 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.568 HD13 ' HE1' ' A' 1850 ' ' PHE . 74.0 mt -53.09 -54.65 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.785 0.326 . . . . 1.1299999999999999 110.98 178.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.54 ' O ' ' HG3' ' A' 1921 ' ' GLN . 50.4 mtmt -59.08 -47.59 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 1.8100000000000001 110.566 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -64.53 -34.74 78.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.529 -0.76 . . . . 2.52 112.023 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.584 ' HB3' HG21 ' A' 1964 ' ' VAL . 29.9 mmt180 -66.21 -40.07 90.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 3.1499999999999999 110.567 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' 1916 ' ' ILE . 60.7 t -65.23 -27.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.469 0.652 . . . . 1.1200000000000001 110.098 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' 1917 ' ' LYS . 18.0 mt-30 -71.39 -24.73 62.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.836 -0.62 . . . . 1.22 111.365 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.73 -42.39 83.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.935 -0.765 . . . . 1.49 108.935 171.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.725 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.6 mt -74.13 -26.79 60.53 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.634 -0.712 . . . . 1.3700000000000001 109.886 174.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1924 ' ' GLY . . . . . 0.454 ' O ' HD12 ' A' 1835 ' ' ILE . . . -57.91 -33.24 67.98 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.015 -1.088 . . . . 0.64000000000000001 111.456 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -91.37 -46.59 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.669 0.271 . . . . 0.85999999999999999 110.635 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.55 -50.04 46.19 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.085 -0.579 . . . . 0.28000000000000003 113.215 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.725 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 88.2 m -65.41 -37.25 86.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.703 0.287 . . . . 1.6599999999999999 110.436 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 30.9 t -61.0 -46.5 90.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.201 0.524 . . . . 1.5 110.175 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.22 90.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.644 -0.707 . . . . 1.01 110.725 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.673 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.84 -52.87 62.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 1.0700000000000001 110.871 -178.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.9 m -63.84 -37.63 80.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.83 0.348 . . . . 1.0800000000000001 110.721 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.3 m -65.33 -42.01 93.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.071 0.462 . . . . 1.4099999999999999 110.658 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.522 ' HE3' HG21 ' A' 1946 ' ' THR . 37.4 tptt -67.22 -40.69 86.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.914 -0.585 . . . . 1.6799999999999999 110.642 -178.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1934 ' ' ALA . . . . . 0.682 ' HB2' ' HB3' ' A' 1882 ' ' LEU . . . -59.1 -35.76 73.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 1.03 111.054 176.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -62.35 -41.88 99.73 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.555 -0.831 . . . . 0.42999999999999999 111.522 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.02 -31.47 64.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.746 0.308 . . . . 1.3100000000000001 111.047 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' 1937 ' ' LEU . 2.7 tm? -70.42 -31.17 68.25 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.505 -0.554 . . . . 1.1200000000000001 109.505 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -76.13 -25.83 55.73 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.026 0.441 . . . . 1.46 110.858 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 49.6 t -76.28 -17.85 59.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.824 -0.625 . . . . 2.3599999999999999 110.011 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 26.1 m -153.16 70.02 6.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.965 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.76 -13.19 38.64 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.813 2.342 . . . . 0.72999999999999998 113.047 -173.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.3 m -95.18 -0.69 52.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.962 -0.563 . . . . 1.95 111.047 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -87.58 107.94 18.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.218 0.532 . . . . 1.1599999999999999 110.211 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 61.0 t -68.97 -31.85 52.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.647 -0.706 . . . . 1.96 111.095 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 61.5 t80 -64.46 -48.51 75.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.509 -0.314 . . . . 2.25 110.537 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.522 HG21 ' HE3' ' A' 1933 ' ' LYS . 41.8 m -59.25 -42.92 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 1.1200000000000001 110.597 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' 1951 ' ' ILE . 29.0 ttpp -63.37 -42.42 98.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 1.8500000000000001 110.111 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.4 -42.84 88.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 3.1899999999999999 110.699 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.492 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 42.4 mt-10 -65.18 -41.47 94.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.952 -0.567 . . . . 1.53 110.778 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.59 -39.71 84.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.61 -0.268 . . . . 1.0900000000000001 110.615 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' 1947 ' ' LYS . 96.7 mt -55.37 -45.21 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.983 0.42 . . . . 1.1100000000000001 109.892 174.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' A' 1956 ' ' ARG . 23.7 mm-40 -59.18 -52.67 64.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.916 -0.583 . . . . 2.1099999999999999 111.04 174.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.539 ' O ' HG21 ' A' 1957 ' ' VAL . 71.7 m -52.91 -47.21 68.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.309 -0.405 . . . . 1.6799999999999999 110.876 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1954 ' ' ALA . . . . . 0.447 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -58.82 -43.89 90.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.383 -0.371 . . . . 1.0800000000000001 111.65 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' 1955 ' ' ARG . 48.3 mtp180 -60.43 -46.56 89.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.368 0.604 . . . . 3.7200000000000002 110.227 177.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.608 ' HG3' ' O ' ' A' 1952 ' ' GLU . 92.7 mtt180 -68.01 -39.23 83.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.133 -0.94 . . . . 3.6299999999999999 111.31 -174.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.571 ' HB ' HG21 ' A' 1868 ' ' VAL . 95.9 t -63.21 -44.42 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.728 0.299 . . . . 1.0600000000000001 110.347 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 32.6 t -57.51 -38.45 74.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.116 -0.493 . . . . 1.6599999999999999 110.372 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.25 -35.41 77.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.928 -0.578 . . . . 1.8600000000000001 110.968 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.576 ' O ' HG22 ' A' 1964 ' ' VAL . 28.2 mmtp -69.46 -35.94 76.1 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.002 -0.279 . . . . 1.4199999999999999 110.515 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.741 HG11 ' HB2' ' A' 1865 ' ' ALA . 51.1 t -57.3 -44.23 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.967 0.413 . . . . 1.0800000000000001 110.126 175.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 30.3 t -59.21 -36.19 74.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.7 -0.682 . . . . 1.54 110.355 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 43.3 m170 -70.92 -38.48 72.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 1.8899999999999999 110.279 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' 1919 ' ' ARG . 56.9 t -62.0 -52.11 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 1.1200000000000001 110.499 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 63.9 mt -55.28 -43.89 75.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.657 -0.701 . . . . 1.0800000000000001 110.714 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.48 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 1.1200000000000001 111.566 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1967 ' ' ALA . . . . . 0.451 ' HB1' ' HG3' ' A' 1919 ' ' ARG . . . -65.94 -40.32 91.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.37 . . . . 1.0900000000000001 110.743 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.607 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -68.53 -49.43 59.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 1.1000000000000001 110.369 177.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.79 -24.83 66.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.309 -0.405 . . . . 1.7 111.537 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.897 0.38 . . . . 1.46 110.805 178.22 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 121.275 0.559 . . . . 1.28 110.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.02 -36.69 73.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.525 -0.761 . . . . 0.87 110.945 176.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 15.8 m -64.61 -34.7 78.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 1.3500000000000001 110.672 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.406 HG21 ' OG ' ' A' 1928 ' ' SER . 54.7 mt -68.12 -46.08 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.55 . . . . 1.0900000000000001 109.613 177.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 20.9 m -62.47 -48.03 81.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.425 -0.807 . . . . 1.1399999999999999 111.133 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -59.72 -38.16 80.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 3.02 110.861 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' 1897 ' ' ALA . . . -61.42 -38.12 85.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 1.0600000000000001 111.33 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.94 -44.44 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.06 0.457 . . . . 1.1899999999999999 110.718 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -63.15 -49.41 74.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.769 -0.65 . . . . 0.80000000000000004 111.684 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -67.2 -33.07 74.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.544 0.572 . . . . 1.0 112.544 -175.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.549 HD13 ' HB ' ' A' 1920 ' ' VAL . 66.4 mt . . . . . 0 C--N 1.329 -0.304 0 N-CA-C 112.065 0.394 . . . . 1.25 112.065 -175.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 68.3 t80 . . . . . 0 C--O 1.228 -0.034 0 CA-C-O 120.731 0.301 . . . . 0.89000000000000001 111.069 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.3 p -53.87 -41.74 50.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 1.3400000000000001 111.517 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.67 -43.73 83.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.422 . . . . 1.71 110.167 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -66.73 -44.23 82.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.255 -0.43 . . . . 1.4299999999999999 110.845 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.33 -53.91 53.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.014 -0.539 . . . . 1.21 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 5.9 t -62.96 -27.61 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 2.1099999999999999 111.054 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 34.7 m -78.51 -51.51 9.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.843 0.354 . . . . 1.1899999999999999 110.911 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.1 mtp -62.38 -36.15 81.37 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.331 0.493 . . . . 1.1000000000000001 112.331 -174.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.683 ' O ' ' HG3' ' A' 1862 ' ' LYS . 28.5 m -63.89 -30.51 50.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 C-N-CA 120.355 -0.538 . . . . 1.0700000000000001 110.308 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -77.05 -43.63 33.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 3.6299999999999999 110.167 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.452 ' HB ' ' CD2' ' A' 1896 ' ' LEU . 4.2 m -63.7 -35.01 79.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.023 -0.535 . . . . 1.1100000000000001 110.925 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.74 -43.6 92.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 1.0900000000000001 110.529 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.683 ' HG3' ' O ' ' A' 1858 ' ' VAL . 60.6 mttm -62.62 -34.17 76.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.052 0.454 . . . . 1.8799999999999999 110.148 175.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.06 89.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 1.1499999999999999 111.331 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.809 HD13 HG22 ' A' 1961 ' ' VAL . 1.5 pp -72.39 -28.59 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.248 -0.581 . . . . 1.0800000000000001 109.95 178.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.601 ' HB2' HG13 ' A' 1961 ' ' VAL . . . -66.36 -41.0 90.14 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 116.1 -0.5 . . . . 0.98999999999999999 111.308 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.4 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.8 p -73.21 -24.98 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.46 -0.496 . . . . 1.45 110.305 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.579 ' O ' ' HG3' ' A' 1871 ' ' MET . 89.6 m -69.19 -53.98 17.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.385 -0.371 . . . . 1.0600000000000001 110.676 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.604 HG22 ' HB ' ' A' 1957 ' ' VAL . 2.4 p -61.48 -40.88 87.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.595 0.236 . . . . 1.05 111.21 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -66.2 -26.51 67.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.91000000000000003 109.951 179.365 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' 1869 ' ' GLN . 8.7 tp10 -77.96 -38.2 45.72 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.754 -0.462 . . . . 0.56999999999999995 109.754 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.579 ' HG3' ' O ' ' A' 1867 ' ' THR . 85.4 mtp -61.35 -46.84 88.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.568 -0.287 . . . . 1.25 110.918 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 7.5 p -61.27 -37.25 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.446 0.641 . . . . 1.27 110.769 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 78.7 m -75.25 -45.64 38.82 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.358 -0.837 . . . . 1.1499999999999999 110.977 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.764 ' HE3' ' HA ' ' A' 1874 ' ' LYS . 0.0 OUTLIER -65.66 -31.32 72.28 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 116.229 -0.441 . . . . 1.97 111.377 179.538 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 22.6 t -60.51 -24.67 65.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.077 0.465 . . . . 1.74 110.719 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -81.11 -38.53 27.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 0.76000000000000001 111.387 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 37.6 p -99.66 -41.7 7.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.453 0.538 . . . . 1.71 112.453 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.2 t -148.55 94.13 4.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.841 0.353 . . . . 1.4299999999999999 110.636 -173.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.438 ' HB3' ' CD1' ' A' 1937 ' ' LEU . 23.7 Cg_exo -64.92 -13.11 37.74 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.65 2.233 . . . . 1.02 111.606 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -72.33 -25.47 61.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.775 -0.648 . . . . 2.2400000000000002 110.447 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' 1885 ' ' LEU . 42.8 mm-40 -78.53 -15.3 58.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.805 -0.634 . . . . 1.8899999999999999 110.991 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.46 ' HB3' ' HB3' ' A' 1934 ' ' ALA . 94.2 mt -63.72 -30.67 71.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 1.1399999999999999 111.666 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -67.14 -56.35 12.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.509 -0.853 . . . . 0.42999999999999999 113.028 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' A' 1881 ' ' GLU . 38.6 Cg_exo -62.24 -28.05 78.86 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.303 2.002 . . . . 1.0 112.584 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.561 HD12 ' HG3' ' A' 1874 ' ' LYS . 90.4 mt -74.59 -42.38 58.8 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.884 -0.326 . . . . 1.0700000000000001 110.313 176.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.91 85.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.122 -0.696 . . . . 1.1000000000000001 109.122 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 9.7 m120 -57.13 -47.69 80.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.174 -0.921 . . . . 1.4299999999999999 110.365 174.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1888 ' ' GLN . . . . . 0.469 ' HG2' ' OD2' ' A' 1892 ' ' ASP . 49.3 tt0 -72.57 -43.32 63.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.608 -0.724 . . . . 1.0700000000000001 111.304 -175.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 51.5 tp -57.82 -38.71 76.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.113 0.482 . . . . 1.05 109.773 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 67.2 m -64.58 -46.91 80.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.615 -0.721 . . . . 1.0800000000000001 111.114 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 48.3 p -71.81 -44.47 63.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.934 0.397 . . . . 1.72 111.292 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.566 ' HB3' HG21 ' A' 1864 ' ' ILE . 69.4 m-20 -59.05 -43.88 91.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.80000000000000004 110.634 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1893 ' ' TYR . . . . . 0.459 ' HH ' ' CA ' ' A' 1924 ' ' GLY . 77.6 t80 -59.77 -41.39 90.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 1.05 110.784 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.55 -35.93 75.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.971 -0.633 . . . . 0.34000000000000002 112.333 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -68.75 -37.8 79.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.005 0.431 . . . . 3.48 110.586 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.452 ' CD2' ' HB ' ' A' 1860 ' ' THR . 26.5 mt -66.1 -48.81 69.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.368 . . . . 1.45 110.523 174.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1897 ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' 1834 ' ' ALA . . . -67.15 -25.94 66.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.777 -0.647 . . . . 1.1499999999999999 112.426 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 11.7 p -82.06 -40.76 21.54 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.86 -0.336 . . . . 1.8899999999999999 110.94 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.468 ' O ' ' HD2' ' A' 1902 ' ' PRO . 20.2 mt-30 -76.89 -24.94 52.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.36 -0.382 . . . . 1.5600000000000001 111.774 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -66.36 -28.55 68.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.334 . . . . 1.0700000000000001 111.811 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.835 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 58.4 mtpt -63.02 -59.04 13.51 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 116.267 -0.424 . . . . 2.8500000000000001 111.192 -178.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.835 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 12.5 Cg_exo -69.5 -28.51 26.4 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.126 1.884 . . . . 0.87 112.222 178.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.25 83.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.223 0.535 . . . . 1.0700000000000001 110.457 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1904 ' ' ALA . . . . . 0.438 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -60.7 -47.24 87.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.375 -0.83 . . . . 1.0800000000000001 111.779 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 12.3 p -75.34 -26.37 18.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 1.9199999999999999 111.419 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -80.03 -16.67 54.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.121 0.486 . . . . 1.1699999999999999 110.804 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.83 145.97 51.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 1.23 111.222 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.51 -62.91 1.53 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.905 -0.589 . . . . 2.6699999999999999 111.09 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.788 ' HB2' HG12 ' A' 1912 ' ' ILE . 1.6 m-20 -81.28 139.68 35.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.216 -0.447 . . . . 2.4900000000000002 109.911 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.45 -36.9 85.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.479 -0.934 . . . . 2.2400000000000002 108.479 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1911 ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.8 mp0 -59.77 -38.39 81.7 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.266 -0.879 . . . . 2.4900000000000002 110.68 177.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.788 HG12 ' HB2' ' A' 1909 ' ' ASN . 40.5 mm -66.49 -42.92 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.459 -0.337 . . . . 1.3899999999999999 110.183 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1913 ' ' GLY . . . . . 0.438 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -63.72 -44.58 96.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.618 -0.801 . . . . 0.57999999999999996 111.612 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.16 79.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.25 0.548 . . . . 1.22 110.666 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.497 ' O ' ' HG2' ' A' 1919 ' ' ARG . 1.4 t-160 -65.01 -49.24 70.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.445 -0.798 . . . . 2.1800000000000002 110.383 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' 1912 ' ' ILE . 84.9 mt -58.36 -54.13 36.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 1.1299999999999999 111.16 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.6 ptpt -61.13 -37.26 82.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 1.8100000000000001 111.346 -176.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 19.7 m170 -75.56 -26.14 57.69 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.979 0.363 . . . . 2.52 111.979 -177.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' 1915 ' ' HIS . 18.9 mmt180 -75.24 -33.62 61.34 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.921 -0.312 . . . . 3.1499999999999999 110.881 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.549 ' HB ' HD13 ' A' 1838 ' ' LEU . 17.7 t -70.58 -22.58 23.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.911 -0.403 . . . . 1.1200000000000001 109.911 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.1 mm-40 -60.31 -39.73 88.04 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.34 0.59 . . . . 1.22 109.468 172.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' 1919 ' ' ARG . 14.5 mm-40 -58.62 -46.95 85.95 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.109 -0.95 . . . . 1.49 109.939 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' 1923 ' ' LEU . 18.5 mt -63.31 -38.11 89.9 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.509 -0.769 . . . . 1.3700000000000001 110.576 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1924 ' ' GLY . . . . . 0.459 ' CA ' ' HH ' ' A' 1893 ' ' TYR . . . -53.78 -53.42 36.41 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.778 -0.725 . . . . 0.64000000000000001 111.781 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -65.62 -43.8 88.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.737 0.303 . . . . 0.85999999999999999 110.746 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.0 -52.71 35.13 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.903 -0.665 . . . . 0.28000000000000003 112.864 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.409 ' O ' HG23 ' A' 1931 ' ' VAL . 78.8 m -61.51 -43.46 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.246 0.218 . . . . 1.6599999999999999 111.138 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1928 ' ' SER . . . . . 0.406 ' OG ' HG21 ' A' 1831 ' ' ILE . 29.2 m -55.98 -47.36 77.84 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.072 0.463 . . . . 1.5 110.419 177.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.05 82.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 1.01 111.282 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.603 HD12 HG23 ' A' 1957 ' ' VAL . 0.6 OUTLIER -67.88 -53.5 26.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.269 -0.423 . . . . 1.0700000000000001 110.099 -179.44 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1931 ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' 1927 ' ' CYS . 27.3 m -64.27 -35.84 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 1.0800000000000001 111.146 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.6 m -57.65 -45.36 85.61 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.8 0.333 . . . . 1.4099999999999999 110.751 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.517 ' HE2' ' HB3' ' A' 1949 ' ' GLU . 13.9 mptt -65.71 -40.97 92.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.6799999999999999 111.18 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1934 ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' 1882 ' ' LEU . . . -62.73 -35.06 78.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.499 -0.319 . . . . 1.03 111.52 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -60.47 -43.37 98.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.488 -0.863 . . . . 0.42999999999999999 111.575 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -76.65 -29.51 56.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.809 0.338 . . . . 1.3100000000000001 111.096 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' 1937 ' ' LEU . 1.5 tm? -71.74 -28.63 63.79 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.787 -0.449 . . . . 1.1200000000000001 109.787 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -77.46 -26.68 51.66 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.222 -0.591 . . . . 1.46 110.784 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.8 t -74.27 -27.68 60.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.316 -0.624 . . . . 2.3599999999999999 109.316 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 19.6 m -142.3 71.47 22.06 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.785 -0.643 . . . . 1.0 109.868 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.528 ' HA ' HD12 ' A' 1937 ' ' LEU . 38.2 Cg_endo -68.11 -8.82 23.87 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.663 2.242 . . . . 0.72999999999999998 111.624 -176.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 6.7 p -89.59 -15.72 32.18 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.649 -1.16 . . . . 1.95 111.259 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.4 117.94 20.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 1.1599999999999999 111.013 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 49.5 t -75.28 -34.87 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.78 -0.645 . . . . 1.96 110.648 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 53.9 t80 -61.74 -48.88 78.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.838 -0.619 . . . . 2.25 110.862 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 21.6 m -65.27 -37.66 87.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.195 -0.457 . . . . 1.1200000000000001 110.789 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.414 ' O ' HG13 ' A' 1951 ' ' ILE . 36.9 ttpt -65.6 -41.59 92.63 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.065 -0.346 . . . . 1.8500000000000001 110.065 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' 1952 ' ' GLU . 26.1 ttpp -55.23 -47.57 75.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 3.1899999999999999 109.964 174.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.517 ' HB3' ' HE2' ' A' 1933 ' ' LYS . 24.0 mm-40 -61.18 -40.91 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.362 -0.835 . . . . 1.53 111.433 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.98 -41.62 95.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.63 -0.259 . . . . 1.0900000000000001 110.72 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.516 ' O ' ' HG2' ' A' 1955 ' ' ARG . 83.7 mt -60.06 -42.34 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 1.1100000000000001 110.18 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' 1956 ' ' ARG . 19.2 mm-40 -65.48 -41.92 92.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 2.1099999999999999 110.404 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.527 ' O ' HG22 ' A' 1957 ' ' VAL . 85.3 m -56.21 -43.66 78.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 1.6799999999999999 110.395 175.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.36 91.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.935 -0.575 . . . . 1.0800000000000001 111.212 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' 1951 ' ' ILE . 22.5 mmm180 -58.63 -50.65 73.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.014 0.435 . . . . 3.7200000000000002 110.409 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.544 ' O ' ' HG2' ' A' 1960 ' ' LYS . 45.2 mtt180 -58.21 -39.45 79.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 3.6299999999999999 111.041 -177.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.604 ' HB ' HG22 ' A' 1868 ' ' VAL . 61.5 t -63.19 -54.5 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 1.0600000000000001 110.7 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 21.0 t -60.28 -34.94 74.47 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.954 0.407 . . . . 1.6599999999999999 110.502 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -60.45 -40.14 90.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.454 0.645 . . . . 1.8600000000000001 111.268 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' 1956 ' ' ARG . 28.0 mmtp -81.38 -27.21 34.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.073 -0.512 . . . . 1.4199999999999999 111.439 -176.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.809 HG22 HD13 ' A' 1864 ' ' ILE . 42.8 t -53.7 -48.23 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.923 0.392 . . . . 1.0800000000000001 110.379 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 2.8 m -58.26 -37.34 74.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.647 -0.706 . . . . 1.54 110.669 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 70.8 m80 -69.87 -42.13 73.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.005 -0.543 . . . . 1.8899999999999999 110.81 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' 1960 ' ' LYS . 61.8 t -63.56 -46.76 94.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.418 -0.356 . . . . 1.1200000000000001 110.453 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' 1861 ' ' ALA . 63.7 mt -57.53 -48.7 78.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 1.0800000000000001 111.012 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.31 -24.81 65.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.099 -0.501 . . . . 1.1200000000000001 111.801 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -66.88 -26.71 67.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.516 -0.311 . . . . 1.0900000000000001 111.05 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1968 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.11 -48.08 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.574 -0.285 . . . . 1.1000000000000001 111.198 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -69.65 -15.88 63.27 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.687 0.279 . . . . 1.7 111.157 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 121.144 0.497 . . . . 1.46 110.481 177.2 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.233 0.229 0 CA-C-O 121.147 0.498 . . . . 1.28 109.729 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.11 -40.44 89.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.455 -0.793 . . . . 0.87 110.698 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 35.8 m -57.33 -32.98 67.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.392 -0.822 . . . . 1.3500000000000001 111.422 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.414 HG21 ' CE2' ' A' 1893 ' ' TYR . 57.5 mt -72.73 -44.15 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.011 0.434 . . . . 1.0900000000000001 110.386 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 6.3 m -64.29 -39.49 94.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.168 0.509 . . . . 1.1399999999999999 110.321 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -59.94 -41.81 92.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.923 -0.581 . . . . 3.02 110.58 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.528 ' HB3' ' HB1' ' A' 1897 ' ' ALA . . . -58.76 -34.8 71.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.796 -0.638 . . . . 1.0600000000000001 111.133 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1835 ' ' ILE . . . . . 0.409 ' HA ' HE22 ' A' 1921 ' ' GLN . 55.6 mt -62.94 -48.19 89.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.608 . . . . 1.1899999999999999 110.551 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -71.95 -41.07 68.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.981 -0.554 . . . . 0.80000000000000004 111.646 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1837 ' ' GLN . . . . . 0.422 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.8 pt20 -62.45 -30.68 71.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.772 0.286 . . . . 1.0 111.772 -174.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.465 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 61.8 mt . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.812 0.339 . . . . 1.25 111.033 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 84.9 t80 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.701 0.286 . . . . 0.89000000000000001 110.366 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.8 p -60.47 -36.18 67.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 115.943 -0.571 . . . . 1.3400000000000001 111.243 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.33 -52.45 27.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 1.71 110.092 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -61.59 -39.42 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 1.4299999999999999 110.951 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.678 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 53.0 tt0 -54.88 -52.54 62.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 1.21 110.802 177.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.521 ' O ' ' HG3' ' A' 1859 ' ' ARG . 26.9 m -61.19 -43.26 99.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 2.1099999999999999 110.846 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 13.5 m -66.71 -39.53 88.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.773 0.32 . . . . 1.1899999999999999 110.998 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.8 mmm -64.94 -51.07 63.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.586 -0.279 . . . . 1.1000000000000001 111.392 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.705 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.2 m -61.3 -40.64 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.704 -0.399 . . . . 1.0700000000000001 111.479 -176.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' 1855 ' ' THR . 22.6 mtm180 -63.33 -43.24 98.32 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.824 0.345 . . . . 3.6299999999999999 110.615 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.627 ' HB ' HD22 ' A' 1896 ' ' LEU . 25.4 m -69.81 -33.49 72.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.836 -0.62 . . . . 1.1100000000000001 110.598 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.58 -42.21 95.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 1.0900000000000001 110.248 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.705 ' HG3' ' O ' ' A' 1858 ' ' VAL . 77.6 mttt -66.56 -32.52 73.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.042 0.449 . . . . 1.8799999999999999 109.857 175.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.99 -37.33 85.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.714 -0.675 . . . . 1.1499999999999999 111.288 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.685 HD12 HG21 ' A' 1961 ' ' VAL . 1.5 pp -79.57 -26.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.403 -0.519 . . . . 1.0800000000000001 109.749 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.795 ' HB2' HG12 ' A' 1961 ' ' VAL . . . -68.52 -35.55 77.62 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.892 -0.594 . . . . 0.98999999999999999 111.464 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.414 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 11.8 p -74.11 -26.57 21.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.18 0.514 . . . . 1.45 110.171 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 59.4 m -74.26 -46.51 40.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.814 -0.63 . . . . 1.0600000000000001 110.934 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.883 HG21 ' HB ' ' A' 1957 ' ' VAL . 4.3 p -65.85 -35.64 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 1.05 110.754 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.492 ' O ' HG13 ' A' 1872 ' ' VAL . 0.0 OUTLIER -70.27 -25.7 63.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.757 -0.46 . . . . 0.91000000000000003 109.757 177.102 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' 1869 ' ' GLN . 10.1 tp10 -77.49 -31.3 53.51 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.32 -0.4 . . . . 0.56999999999999995 110.14 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.637 ' SD ' HD21 ' A' 1882 ' ' LEU . 4.3 mmt -55.05 -45.86 75.29 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.924 -0.58 . . . . 1.25 111.645 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.51 HG23 HG21 ' A' 1951 ' ' ILE . 14.2 p -62.93 -38.79 82.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.275 0.559 . . . . 1.27 110.988 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 89.8 m -76.1 -43.78 41.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.584 -0.735 . . . . 1.1499999999999999 111.196 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.953 ' HE3' ' HA ' ' A' 1874 ' ' LYS . 0.0 OUTLIER -68.2 -45.67 72.73 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.342 -0.39 . . . . 1.97 111.977 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 22.4 p -56.92 -27.79 61.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.767 0.318 . . . . 1.74 111.853 -175.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -65.91 -52.55 49.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.112 -0.495 . . . . 0.76000000000000001 111.769 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 6.1 t -109.69 -26.91 9.63 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.967 0.728 . . . . 1.71 112.967 -172.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 15.0 m -135.29 79.06 50.31 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 122.208 -0.308 . . . . 1.4299999999999999 110.905 -173.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.32 -28.43 63.54 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.852 2.368 . . . . 1.02 113.348 -177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.61 -17.13 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.526 -0.47 . . . . 2.2400000000000002 110.864 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -77.59 -10.42 59.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.8899999999999999 111.3 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.637 HD21 ' SD ' ' A' 1871 ' ' MET . 86.6 mt -70.99 -25.36 62.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.134 -0.485 . . . . 1.1399999999999999 110.778 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1883 ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.51 -55.71 23.81 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.786 -0.721 . . . . 0.42999999999999999 113.063 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' 1883 ' ' GLY . 10.8 Cg_endo -58.39 -31.39 93.87 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.258 1.972 . . . . 1.0 112.351 175.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.631 HD11 ' HG3' ' A' 1874 ' ' LYS . 84.1 mt -73.92 -42.27 60.86 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 120.7 0.285 . . . . 1.0700000000000001 110.621 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1886 ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.23 -35.56 73.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.222 0.535 . . . . 1.1000000000000001 109.595 175.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -66.83 -50.25 63.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.351 -0.84 . . . . 1.4299999999999999 111.121 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.84 -47.42 78.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.722 -0.672 . . . . 1.0700000000000001 111.408 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.501 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.4 tp -54.62 -43.69 72.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.105 0.478 . . . . 1.05 110.113 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 66.0 m -66.74 -47.04 73.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.478 -0.783 . . . . 1.0800000000000001 111.502 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 3.5 t -68.1 -42.09 80.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.254 -0.43 . . . . 1.72 111.122 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -73.34 -34.52 65.7 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.952 -0.299 . . . . 0.80000000000000004 111.157 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1893 ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 50.7 t80 -59.56 -40.44 87.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.866 0.365 . . . . 1.05 110.276 175.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.86 -30.81 53.91 Favored Glycine 0 CA--C 1.521 0.409 0 CA-C-N 115.837 -0.62 . . . . 0.34000000000000002 112.771 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -68.84 -49.52 57.7 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.928 -0.397 . . . . 3.48 109.928 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.627 HD22 ' HB ' ' A' 1860 ' ' THR . 69.2 mt -57.29 -43.73 83.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 1.45 110.318 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1897 ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' 1834 ' ' ALA . . . -63.43 -25.71 68.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.497 -0.774 . . . . 1.1499999999999999 111.687 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 25.4 m -86.67 -47.11 9.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.814 0.34 . . . . 1.8899999999999999 110.512 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.93 -27.39 66.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 1.5600000000000001 111.895 -176.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -61.26 -25.3 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.023 0.379 . . . . 1.0700000000000001 112.023 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.779 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 10.0 mtpm? -72.39 -59.68 2.47 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-O 119.496 -0.288 . . . . 2.8500000000000001 111.223 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.779 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 34.9 Cg_exo -62.81 -32.48 77.67 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.972 1.781 . . . . 0.87 112.411 176.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.64 91.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.976 0.417 . . . . 1.0700000000000001 110.686 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -62.48 -32.85 73.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 1.0800000000000001 111.045 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 2.0 t -76.62 -39.89 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.028 -0.533 . . . . 1.9199999999999999 110.818 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.03 66.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.685 -0.689 . . . . 1.1699999999999999 110.857 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.02 143.64 54.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.939 -0.573 . . . . 1.23 110.293 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.37 -30.21 37.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.864 0.364 . . . . 2.6699999999999999 111.359 -175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.447 ' HB3' HG12 ' A' 1912 ' ' ILE . 58.8 t30 -106.43 147.01 29.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.919 0.39 . . . . 2.4900000000000002 111.03 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.76 -53.74 51.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.512 -0.767 . . . . 2.2400000000000002 111.465 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1911 ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.7 mp0 -58.11 -29.2 65.3 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.978 -0.555 . . . . 2.4900000000000002 111.392 -176.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' 1916 ' ' ILE . 48.9 mm -67.97 -46.0 82.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.58 0.228 . . . . 1.3899999999999999 110.537 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.25 -40.74 96.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.68 -0.771 . . . . 0.57999999999999996 111.709 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.98 89.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.169 0.509 . . . . 1.22 110.443 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.556 ' HB2' ' O ' ' A' 1911 ' ' GLU . 5.3 t-80 -61.47 -45.46 94.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.438 -0.801 . . . . 2.1800000000000002 110.93 -177.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.536 ' O ' HG21 ' A' 1920 ' ' VAL . 72.8 mt -59.53 -54.72 30.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 1.1299999999999999 110.943 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.608 ' O ' ' HG2' ' A' 1921 ' ' GLN . 1.3 ptpm? -65.34 -32.34 73.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 1.8100000000000001 111.259 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 7.9 m170 -69.58 -32.67 71.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.656 -0.247 . . . . 2.52 111.557 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.839 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 20.5 mmt180 -78.11 -25.23 47.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.821 0.343 . . . . 3.1499999999999999 110.663 178.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' 1916 ' ' ILE . 48.6 t -72.31 -26.75 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.207 0.527 . . . . 1.1200000000000001 109.795 174.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' 1917 ' ' LYS . 20.5 mm-40 -61.33 -30.17 70.34 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.851 -0.613 . . . . 1.22 110.024 174.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.561 ' HG3' ' HA ' ' A' 1919 ' ' ARG . 2.2 mt-10 -63.81 -47.76 79.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.546 -0.752 . . . . 1.49 110.489 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.68 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 15.0 mt -70.12 -27.16 64.35 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.281 -0.637 . . . . 1.3700000000000001 109.281 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -56.18 -32.64 60.25 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.76 -0.733 . . . . 0.64000000000000001 111.859 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -93.91 -48.48 6.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.691 0.281 . . . . 0.85999999999999999 110.368 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -62.03 -52.86 47.13 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.155 -0.545 . . . . 0.28000000000000003 113.096 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.68 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 91.3 m -64.68 -38.09 89.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.7 0.286 . . . . 1.6599999999999999 110.551 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 11.8 t -63.04 -46.37 87.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.972 0.415 . . . . 1.5 110.244 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.48 97.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 1.01 110.803 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.452 HD12 HG23 ' A' 1957 ' ' VAL . 0.4 OUTLIER -61.96 -53.16 59.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 1.0700000000000001 110.711 -178.302 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1931 ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' 1886 ' ' ALA . 30.2 m -66.17 -31.78 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.396 -0.365 . . . . 1.0800000000000001 110.968 -177.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 82.2 m -69.27 -42.72 75.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 1.4099999999999999 110.675 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.739 ' HE3' HG21 ' A' 1946 ' ' THR . 40.6 tptt -66.64 -38.02 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 1.6799999999999999 110.346 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -55.47 -41.56 73.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 1.03 111.116 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -54.98 -40.97 75.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.219 -0.515 . . . . 0.42999999999999999 112.664 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -77.58 -34.83 53.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.775 0.322 . . . . 1.3100000000000001 110.779 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.82 -36.31 75.51 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.154 -0.476 . . . . 1.1200000000000001 110.054 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -69.56 -26.1 64.32 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.807 -0.357 . . . . 1.46 110.981 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 36.1 t -77.2 -19.19 57.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 2.3599999999999999 110.313 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 43.0 m -149.25 70.15 9.85 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 1.0 110.075 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.83 -16.01 53.2 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.974 2.449 . . . . 0.72999999999999998 112.912 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.4 m -96.15 10.37 37.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.856 -0.611 . . . . 1.95 111.345 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -94.14 121.9 36.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.91 0.386 . . . . 1.1599999999999999 110.385 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 18.3 m -69.58 -40.59 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.074 -0.512 . . . . 1.96 112.198 -175.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -67.88 -49.52 61.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.83 -0.168 . . . . 2.25 111.365 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.739 HG21 ' HE3' ' A' 1933 ' ' LYS . 27.2 m -59.68 -36.72 77.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.945 0.402 . . . . 1.1200000000000001 110.691 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -70.95 -44.67 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 1.8500000000000001 110.584 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' 1952 ' ' GLU . 59.6 tttp -62.56 -42.4 99.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.52 -0.309 . . . . 3.1899999999999999 110.827 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.486 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 47.0 mt-10 -58.56 -36.16 73.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 1.53 110.999 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.8 tt -69.79 -36.37 75.64 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.959 -0.385 . . . . 1.0900000000000001 109.959 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.51 HG21 HG23 ' A' 1872 ' ' VAL . 86.6 mt -61.19 -43.01 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 1.1100000000000001 109.816 173.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.657 ' O ' ' HG3' ' A' 1956 ' ' ARG . 65.4 mm-40 -63.0 -39.5 94.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.846 -0.616 . . . . 2.1099999999999999 109.92 175.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.527 ' O ' HG22 ' A' 1957 ' ' VAL . 74.7 m -60.72 -43.94 97.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.437 -0.347 . . . . 1.6799999999999999 110.611 176.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.19 -52.11 65.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 1.0800000000000001 111.597 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.55 ' O ' ' HG3' ' A' 1959 ' ' GLU . 14.2 ptm180 -58.14 -34.27 70.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.672 -0.24 . . . . 3.7200000000000002 111.514 -176.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' 1952 ' ' GLU . 18.8 mtm180 -68.41 -41.73 80.0 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.732 0.301 . . . . 3.6299999999999999 110.784 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.883 ' HB ' HG21 ' A' 1868 ' ' VAL . 59.4 t -63.42 -45.32 98.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 1.0600000000000001 110.333 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 35.5 m -57.68 -34.87 69.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.614 . . . . 1.6599999999999999 111.224 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' 1955 ' ' ARG . 45.0 mt-10 -64.39 -39.09 93.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.333 0.587 . . . . 1.8600000000000001 110.316 176.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.1 mmtt -73.43 -31.99 64.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.593 -0.731 . . . . 1.4199999999999999 111.027 -175.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.795 HG12 ' HB2' ' A' 1865 ' ' ALA . 46.5 t -57.23 -44.88 84.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.774 0.321 . . . . 1.0800000000000001 110.737 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 8.8 t -59.91 -37.81 80.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 1.54 110.226 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.839 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 63.7 m80 -67.77 -40.52 84.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.942 -0.572 . . . . 1.8899999999999999 111.024 178.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 1960 ' ' LYS . 59.9 t -63.89 -47.72 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 1.1200000000000001 110.074 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.04 -50.21 73.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.738 -0.665 . . . . 1.0800000000000001 110.912 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.63 -24.32 67.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.947 -0.569 . . . . 1.1200000000000001 111.774 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -63.72 -30.15 71.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.36 -0.382 . . . . 1.0900000000000001 111.072 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.678 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -74.53 -46.89 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 1.1000000000000001 111.44 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -69.36 -15.49 63.33 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.893 0.378 . . . . 1.7 111.165 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 1.46 110.302 175.349 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.179 0.514 . . . . 1.28 110.67 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.28 -40.21 62.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.87 110.267 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 32.2 m -58.19 -40.62 82.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 1.3500000000000001 110.288 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.509 HG22 ' CE2' ' A' 1893 ' ' TYR . 66.2 mt -64.9 -47.42 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.678 . . . . 1.0900000000000001 110.649 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 27.4 m -62.79 -39.07 93.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 1.1399999999999999 110.928 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -61.87 -44.64 96.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 3.02 110.354 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' A' 1838 ' ' LEU . . . -55.71 -41.33 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.954 -0.566 . . . . 1.0600000000000001 111.317 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.65 -48.37 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 1.1899999999999999 111.083 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -77.19 -33.88 56.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.963 -0.562 . . . . 0.80000000000000004 111.792 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1837 ' ' GLN . . . . . 0.531 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 14.9 pt20 -68.44 -28.88 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.224 -0.191 . . . . 1.0 111.058 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' 1834 ' ' ALA . 78.8 mt . . . . . 0 C--N 1.332 -0.172 0 CA-C-O 121.021 0.439 . . . . 1.25 111.04 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' 1906 ' ' ALA . 60.2 t80 . . . . . 0 C--O 1.226 -0.138 0 CA-C-O 120.328 0.108 . . . . 0.89000000000000001 111.178 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.3 p -59.07 -38.15 72.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.829 0.347 . . . . 1.3400000000000001 111.364 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.83 -46.41 78.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 1.71 110.673 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 78.8 m-85 -76.06 -37.57 58.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.826 -0.625 . . . . 1.4299999999999999 111.29 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.645 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 29.4 tt0 -56.56 -54.53 44.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.661 0.267 . . . . 1.21 111.039 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.506 ' O ' ' HG3' ' A' 1859 ' ' ARG . 17.1 p -59.35 -41.0 88.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 2.1099999999999999 111.051 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 21.1 m -70.47 -40.35 73.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.318 -0.401 . . . . 1.1899999999999999 111.007 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.474 ' SD ' ' HA ' ' A' 1900 ' ' ALA . 47.8 mtp -63.87 -50.79 67.42 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 111.723 0.268 . . . . 1.1000000000000001 111.723 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.732 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.3 m -59.89 -33.16 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.712 -0.395 . . . . 1.0700000000000001 110.806 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' 1855 ' ' THR . 62.3 mtp180 -67.79 -45.06 75.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 3.6299999999999999 110.727 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.654 ' HB ' HD23 ' A' 1896 ' ' LEU . 6.4 m -70.29 -33.75 71.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 1.1100000000000001 110.587 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.508 ' HB3' HD22 ' A' 1965 ' ' LEU . . . -62.22 -46.08 90.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 1.0900000000000001 110.627 176.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.732 ' HG3' ' O ' ' A' 1858 ' ' VAL . 83.0 mttt -61.94 -31.33 71.64 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.953 0.406 . . . . 1.8799999999999999 110.478 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.33 93.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 1.1499999999999999 111.149 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.631 HD13 HG21 ' A' 1961 ' ' VAL . 1.2 pp -76.78 -26.83 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.627 -0.429 . . . . 1.0800000000000001 110.117 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.746 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -69.05 -42.62 76.04 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.183 -0.462 . . . . 0.98999999999999999 111.093 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.45 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.6 p -71.69 -23.97 22.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.213 0.53 . . . . 1.45 110.004 177.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 97.1 m -67.39 -52.34 41.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.883 -0.599 . . . . 1.0600000000000001 110.563 173.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.743 HG23 ' HB ' ' A' 1957 ' ' VAL . 4.4 p -65.99 -34.95 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.432 -0.349 . . . . 1.05 111.416 -177.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.77 -29.1 68.97 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.758 -0.46 . . . . 0.91000000000000003 109.758 177.191 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -77.8 -35.83 50.98 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.226 -0.443 . . . . 0.56999999999999995 109.938 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.482 ' SD ' ' HB2' ' A' 1885 ' ' LEU . 35.5 mmm -58.56 -46.81 86.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.366 -0.379 . . . . 1.25 111.385 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.41 ' CG2' HG23 ' A' 1951 ' ' ILE . 7.3 p -62.69 -32.29 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.532 0.682 . . . . 1.27 110.752 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 93.8 m -80.38 -44.59 19.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.201 -0.909 . . . . 1.1499999999999999 110.733 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.639 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 7.1 mmpt? -67.13 -37.93 84.68 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.975 -0.557 . . . . 1.97 111.211 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 24.7 t -54.53 -24.41 20.68 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.808 0.299 . . . . 1.74 111.808 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -75.54 -52.2 11.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.891 0.33 . . . . 0.76000000000000001 111.891 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 3.8 t -108.12 -16.76 14.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.48 0.548 . . . . 1.71 112.48 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 4.1 m -146.44 75.38 12.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.78 -0.452 . . . . 1.4299999999999999 109.78 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -72.01 -13.6 28.93 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.488 2.125 . . . . 1.02 112.816 -174.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1880 ' ' GLU . . . . . 0.485 ' HA ' ' HG2' ' A' 1938 ' ' GLN . 0.1 OUTLIER -92.74 -20.23 20.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.949 0.404 . . . . 2.2400000000000002 110.271 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -71.14 -9.44 58.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 1.8899999999999999 110.834 173.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1882 ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.42 -25.45 68.02 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.76 -0.655 . . . . 1.1399999999999999 110.365 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1883 ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.02 -55.51 26.14 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.985 -0.626 . . . . 0.42999999999999999 113.37 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' 1883 ' ' GLY . 12.9 Cg_endo -59.83 -37.04 88.9 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.239 1.959 . . . . 1.0 112.47 175.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.612 HD13 ' HG3' ' A' 1874 ' ' LYS . 72.5 mt -71.98 -44.27 63.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.564 -0.289 . . . . 1.0700000000000001 110.753 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.54 68.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.113 0.483 . . . . 1.1000000000000001 109.869 174.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -71.57 -37.27 71.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.564 . . . . 1.4299999999999999 110.784 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -69.77 -44.3 70.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.353 -0.385 . . . . 1.0700000000000001 110.158 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.494 HD11 ' HB ' ' A' 1864 ' ' ILE . 45.2 tp -58.56 -33.52 70.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 1.05 110.134 176.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 54.3 m -74.85 -51.45 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.646 -0.706 . . . . 1.0800000000000001 111.433 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1891 ' ' SER . . . . . 0.408 ' O ' ' HG3' ' A' 1895 ' ' ARG . 16.1 p -66.58 -49.99 64.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.497 . . . . 1.72 110.911 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.477 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 6.1 m-20 -64.1 -28.84 70.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.543 -0.753 . . . . 0.80000000000000004 111.532 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1893 ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 63.8 t80 -66.06 -45.01 82.86 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.51 -0.476 . . . . 1.05 109.916 174.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.57 -39.89 91.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.34000000000000002 111.727 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.477 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 94.0 mtt180 -63.98 -50.69 67.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.206 0.527 . . . . 3.48 110.302 175.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.654 HD23 ' HB ' ' A' 1860 ' ' THR . 1.3 tm? -62.55 -40.1 95.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.542 -0.753 . . . . 1.45 110.997 -177.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -69.49 -37.16 77.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.778 0.323 . . . . 1.1499999999999999 111.098 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 9.5 t -64.38 -35.94 82.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.047 0.451 . . . . 1.8899999999999999 110.03 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -77.18 -24.81 51.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.734 -0.667 . . . . 1.5600000000000001 111.051 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1900 ' ' ALA . . . . . 0.474 ' HA ' ' SD ' ' A' 1857 ' ' MET . . . -68.98 -36.5 77.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.536 . . . . 1.0700000000000001 112.09 -175.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.814 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 42.0 mtmt -59.65 -58.17 21.41 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 121.132 -0.227 . . . . 2.8500000000000001 111.526 -178.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.814 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 21.7 Cg_exo -65.42 -29.14 53.92 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.128 1.886 . . . . 0.87 112.375 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1903 ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' 1853 ' ' TYR . . . -62.19 -46.02 90.81 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.149 0.5 . . . . 1.0700000000000001 110.358 176.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1904 ' ' ALA . . . . . 0.439 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -60.75 -48.67 80.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.239 -0.891 . . . . 1.0800000000000001 111.493 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 12.2 p -70.4 -24.36 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.743 0.306 . . . . 1.9199999999999999 111.33 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1906 ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -92.73 3.61 55.29 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.342 -0.224 . . . . 1.1699999999999999 111.504 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.38 159.11 34.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.018 0.437 . . . . 1.23 111.347 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.01 -42.87 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 2.6699999999999999 110.632 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.766 ' HB2' HG12 ' A' 1912 ' ' ILE . 61.8 m-20 -117.07 141.15 48.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.048 -0.524 . . . . 2.4900000000000002 110.08 -178.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -57.74 -35.56 70.87 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.49 0.494 . . . . 2.2400000000000002 110.744 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -65.11 -37.32 87.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 2.4900000000000002 110.87 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.766 HG12 ' HB2' ' A' 1909 ' ' ASN . 51.6 mm -65.71 -44.66 93.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.648 -0.501 . . . . 1.3899999999999999 109.648 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1913 ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.26 -47.2 92.25 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.822 -0.704 . . . . 0.57999999999999996 111.72 176.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.94 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.274 0.559 . . . . 1.22 110.342 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.42 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.8 t-80 -63.66 -40.49 96.98 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.314 -0.857 . . . . 2.1800000000000002 110.627 -177.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.512 ' O ' HG21 ' A' 1920 ' ' VAL . 82.3 mt -59.51 -53.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.719 0.295 . . . . 1.1299999999999999 110.385 176.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' A' 1921 ' ' GLN . 92.9 mttt -54.86 -48.33 73.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.861 -0.609 . . . . 1.8100000000000001 111.008 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -71.06 -28.48 64.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.842 -0.617 . . . . 2.52 112.185 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.694 ' HB3' HG22 ' A' 1964 ' ' VAL . 16.8 mmm180 -70.88 -36.82 72.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.723 0.297 . . . . 3.1499999999999999 110.762 177.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' 1916 ' ' ILE . 37.8 t -72.9 -22.69 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.951 0.405 . . . . 1.1200000000000001 110.452 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.3 mm-40 -60.56 -32.25 71.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.147 0.499 . . . . 1.22 109.899 174.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.14 -49.75 73.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.326 -0.852 . . . . 1.49 111.174 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.666 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 11.0 mt -65.15 -28.75 69.63 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.123 -0.695 . . . . 1.3700000000000001 109.123 175.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -56.6 -34.01 63.55 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.971 -0.633 . . . . 0.64000000000000001 112.316 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -95.96 -43.3 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.618 0.247 . . . . 0.85999999999999999 110.596 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.82 -53.45 27.29 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.144 -0.551 . . . . 0.28000000000000003 112.835 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 96.9 m -63.97 -36.43 83.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.695 0.283 . . . . 1.6599999999999999 110.421 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1928 ' ' SER . . . . . 0.411 ' HB2' HG23 ' A' 1831 ' ' ILE . 9.5 t -62.72 -47.53 83.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 1.5 109.951 176.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.82 92.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 1.01 110.761 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.64 HD13 HG22 ' A' 1868 ' ' VAL . 0.5 OUTLIER -63.33 -51.93 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 1.0700000000000001 111.339 -178.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 16.6 m -67.25 -34.2 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.955 0.407 . . . . 1.0800000000000001 110.774 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 94.6 m -68.21 -41.66 80.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 1.4099999999999999 110.389 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.468 ' HE3' HG22 ' A' 1946 ' ' THR . 36.2 tptt -67.15 -39.29 86.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.831 -0.622 . . . . 1.6799999999999999 110.236 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.82 77.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.049 -0.523 . . . . 1.03 111.173 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.09 84.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.42999999999999999 112.459 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.49 -29.37 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 1.3100000000000001 110.869 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -77.54 -36.37 52.38 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.552 -0.536 . . . . 1.1200000000000001 109.552 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.485 ' HG2' ' HA ' ' A' 1880 ' ' GLU . 17.6 mt-30 -65.61 -25.52 67.42 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.924 0.392 . . . . 1.46 110.945 175.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 54.0 t -66.74 -27.97 68.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 2.3599999999999999 110.278 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 55.8 m -154.25 76.74 5.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.532 -0.544 . . . . 1.0 109.532 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.84 -14.35 31.8 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.207 2.605 . . . . 0.72999999999999998 112.582 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 28.4 m -85.41 -12.21 52.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.655 -0.702 . . . . 1.95 111.35 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.37 120.06 17.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 1.1599999999999999 110.411 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 39.0 t -72.64 -44.94 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.113 -0.494 . . . . 1.96 111.531 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.432 ' O ' ' HG3' ' A' 1949 ' ' GLU . 41.6 t80 -66.25 -46.67 76.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 2.25 111.117 -174.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.468 HG22 ' HE3' ' A' 1933 ' ' LYS . 25.6 m -61.47 -38.27 86.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.068 0.461 . . . . 1.1200000000000001 110.602 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.43 ' O ' HG13 ' A' 1951 ' ' ILE . 38.1 ttpt -67.16 -44.78 78.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.796 -0.638 . . . . 1.8500000000000001 110.114 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -55.31 -44.51 75.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 3.1899999999999999 110.838 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.454 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 48.8 mt-10 -64.47 -39.48 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 1.53 111.369 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.62 -38.23 86.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.102 -0.333 . . . . 1.0900000000000001 110.102 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' 1947 ' ' LYS . 89.6 mt -58.4 -40.75 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 1.1100000000000001 110.165 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' 1956 ' ' ARG . 5.5 mm-40 -65.7 -45.52 82.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.903 -0.589 . . . . 2.1099999999999999 110.46 175.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.708 ' HA ' ' HD3' ' A' 1956 ' ' ARG . 85.5 m -57.61 -40.96 80.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 1.6799999999999999 110.661 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1954 ' ' ALA . . . . . 0.405 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -61.58 -44.59 96.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.226 -0.443 . . . . 1.0800000000000001 110.928 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -61.51 -40.57 95.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 3.7200000000000002 110.515 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.708 ' HD3' ' HA ' ' A' 1953 ' ' CYS . 74.3 mtp180 -62.16 -50.37 72.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.736 -0.666 . . . . 3.6299999999999999 111.148 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.743 ' HB ' HG23 ' A' 1868 ' ' VAL . 74.7 t -63.76 -44.28 98.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 1.0600000000000001 111.681 -177.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.3 m -57.32 -35.88 70.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.922 0.391 . . . . 1.6599999999999999 111.077 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -72.37 -32.55 66.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.195 -0.457 . . . . 1.8600000000000001 111.37 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' 1964 ' ' VAL . 73.8 mmtt -65.47 -43.99 88.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.153 -0.476 . . . . 1.4199999999999999 110.625 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.746 HG11 ' HB2' ' A' 1865 ' ' ALA . 22.0 t -54.92 -44.86 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 O-C-N 123.661 0.601 . . . . 1.0800000000000001 111.245 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 5.4 m -56.38 -41.69 76.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.007 0.432 . . . . 1.54 110.915 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.465 ' HB2' ' NH2' ' A' 1919 ' ' ARG . 13.9 m-70 -77.82 -23.18 49.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 1.8899999999999999 111.088 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.694 HG22 ' HB3' ' A' 1919 ' ' ARG . 58.3 t -73.69 -43.32 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.877 -0.416 . . . . 1.1200000000000001 109.877 175.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' 1861 ' ' ALA . 69.3 mt -61.09 -37.66 83.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 1.0800000000000001 110.59 177.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -59.67 -24.49 63.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.798 -0.637 . . . . 1.1200000000000001 111.607 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.97 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 1.0900000000000001 110.796 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.645 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.2 mm? -72.35 -51.21 21.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 1.1000000000000001 110.582 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -62.62 -19.17 63.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 1.7 111.585 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.028 -0.533 . . . . 1.46 111.028 178.015 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.3 0.571 . . . . 1.28 109.794 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.99 -36.27 80.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.49 -0.777 . . . . 0.87 110.773 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 8.7 t -60.56 -39.97 89.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 1.3500000000000001 110.274 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 57.1 mt -63.94 -49.18 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 1.0900000000000001 110.212 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 8.9 m -60.11 -45.72 92.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 1.1399999999999999 110.94 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.75 -36.77 85.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.336 -0.393 . . . . 3.02 110.808 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.436 ' HB3' ' CB ' ' A' 1897 ' ' ALA . . . -63.01 -28.23 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 1.0600000000000001 111.577 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.24 -47.92 79.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.114 0.483 . . . . 1.1899999999999999 110.42 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -66.09 -37.41 85.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.584 -0.734 . . . . 0.80000000000000004 112.545 -172.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -62.4 -28.84 70.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.919 0.39 . . . . 1.0 111.467 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.613 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 91.0 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 1.25 111.204 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 60.7 t80 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.643 0.259 . . . . 0.89000000000000001 110.416 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 5.3 p -60.49 -34.22 57.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.333 -0.394 . . . . 1.3400000000000001 111.321 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.32 -53.02 62.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.974 0.416 . . . . 1.71 110.532 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -67.54 -35.77 79.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.203 -0.453 . . . . 1.4299999999999999 110.809 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.612 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.9 tt0 -57.05 -56.83 16.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.223 -0.444 . . . . 1.21 110.968 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.404 ' HA ' HG22 ' A' 1858 ' ' VAL . 3.7 t -63.47 -28.04 69.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 2.1099999999999999 110.473 -176.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 33.3 m -74.76 -43.47 54.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.166 0.508 . . . . 1.1899999999999999 110.421 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.2 mtp -69.95 -43.87 70.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 1.1000000000000001 111.656 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.613 ' O ' ' HG2' ' A' 1862 ' ' LYS . 33.5 m -63.64 -38.21 81.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.478 -0.489 . . . . 1.0700000000000001 110.871 -177.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -64.45 -43.05 95.47 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.042 0.449 . . . . 3.6299999999999999 110.589 176.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.428 ' O ' HG22 ' A' 1864 ' ' ILE . 38.7 m -67.3 -33.46 75.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.032 -0.531 . . . . 1.1100000000000001 110.278 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.93 -38.38 90.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 1.0900000000000001 110.222 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' 1858 ' ' VAL . 60.0 mmtt -61.26 -40.22 93.28 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.314 -0.625 . . . . 1.8799999999999999 109.314 174.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.29 -40.64 81.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.161 -0.927 . . . . 1.1499999999999999 111.674 -177.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.76 HD12 HG22 ' A' 1961 ' ' VAL . 1.5 pp -73.17 -28.48 26.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.227 -0.589 . . . . 1.0800000000000001 109.789 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.749 ' HB1' HG13 ' A' 1961 ' ' VAL . . . -70.47 -42.42 71.44 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.187 -0.46 . . . . 0.98999999999999999 111.088 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.457 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.6 p -67.89 -27.61 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.312 -0.555 . . . . 1.45 109.883 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 92.0 m -68.27 -52.83 29.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.006 -0.543 . . . . 1.0600000000000001 110.743 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.747 HG21 HD12 ' A' 1930 ' ' LEU . 2.9 p -65.03 -36.51 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.157 -0.217 . . . . 1.05 111.054 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -69.36 -26.49 64.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.148 0.499 . . . . 0.91000000000000003 109.744 177.757 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.4 -35.39 54.36 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.739 -0.467 . . . . 0.56999999999999995 109.739 176.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1871 ' ' MET . . . . . . . . . . . . . 27.7 mmm -60.27 -49.1 78.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.549 -0.296 . . . . 1.25 111.105 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.478 HG21 HG22 ' A' 1951 ' ' ILE . 4.8 p -62.56 -41.56 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.433 0.635 . . . . 1.27 110.706 178.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 42.6 m -67.85 -46.04 72.87 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.194 -0.912 . . . . 1.1499999999999999 111.193 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 1.018 ' HE3' ' HA ' ' A' 1874 ' ' LYS . 0.0 OUTLIER -66.97 -31.06 71.39 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 116.457 -0.338 . . . . 1.97 111.736 -178.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 56.1 m -62.13 -24.77 67.35 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 120.237 -0.585 . . . . 1.74 110.898 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -81.86 -32.92 30.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.872 -0.604 . . . . 0.76000000000000001 111.698 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 3.5 p -109.73 -45.71 3.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.125 0.787 . . . . 1.71 113.125 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 71.5 m -143.14 87.61 8.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.327 -0.397 . . . . 1.4299999999999999 111.061 -169.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -70.32 -2.27 10.3 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.72 2.28 . . . . 1.02 112.604 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.3 -24.5 37.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.037 0.446 . . . . 2.2400000000000002 110.681 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' 1885 ' ' LEU . 49.7 mm-40 -81.02 -10.73 59.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 1.8899999999999999 111.822 -176.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.488 HD11 HD11 ' A' 1937 ' ' LEU . 74.2 mt -64.43 -34.66 78.7 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.042 0.386 . . . . 1.1399999999999999 112.042 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -61.75 -55.47 28.38 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 120.544 -0.836 . . . . 0.42999999999999999 112.778 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' 1881 ' ' GLU . 52.1 Cg_exo -58.28 -39.17 86.9 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.694 2.263 . . . . 1.0 112.871 174.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.455 HD13 ' HG3' ' A' 1874 ' ' LYS . 75.6 mt -70.41 -45.24 66.32 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.03 -0.268 . . . . 1.0700000000000001 110.951 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1886 ' ' ALA . . . . . 0.475 ' HB3' HG13 ' A' 1931 ' ' VAL . . . -57.8 -32.38 67.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.169 0.509 . . . . 1.1000000000000001 109.984 173.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -68.44 -48.18 65.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 1.4299999999999999 110.575 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -65.98 -41.93 90.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.734 -0.666 . . . . 1.0700000000000001 110.533 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 55.1 tp -56.51 -42.38 78.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.238 0.542 . . . . 1.05 109.719 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 36.7 m -63.46 -46.66 85.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.428 -0.805 . . . . 1.0800000000000001 111.344 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 11.0 t -66.48 -49.87 65.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 1.72 111.359 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.85 -28.68 66.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.214 -0.448 . . . . 0.80000000000000004 111.796 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 46.3 t80 -64.67 -41.51 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.93 -0.308 . . . . 1.05 110.653 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -68.15 -33.93 79.74 Favored Glycine 0 CA--C 1.505 -0.538 0 N-CA-C 110.306 -1.118 . . . . 0.34000000000000002 110.306 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.73 -45.1 94.32 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.382 -0.909 . . . . 3.48 110.14 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.419 HD23 ' HB ' ' A' 1860 ' ' THR . 28.7 mt -59.33 -51.56 69.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 1.45 110.98 174.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1897 ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' 1834 ' ' ALA . . . -60.46 -43.91 96.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.87 -0.605 . . . . 1.1499999999999999 112.197 -176.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 73.1 m -61.9 -39.94 93.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.807 -0.179 . . . . 1.8899999999999999 111.314 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -77.29 -23.82 51.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.647 0.261 . . . . 1.5600000000000001 111.525 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.46 -32.23 73.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 1.0700000000000001 111.931 -177.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.724 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 9.1 mtpm? -64.76 -55.55 27.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.679 -0.237 . . . . 2.8500000000000001 111.338 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.724 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 33.9 Cg_exo -59.93 -31.38 93.6 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.019 1.812 . . . . 0.87 112.208 173.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.28 96.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 1.0700000000000001 110.645 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -64.71 -43.95 91.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.99 -0.55 . . . . 1.0800000000000001 111.427 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1905 ' ' VAL . . . . . 0.411 HG11 ' HA ' ' A' 1902 ' ' PRO . 11.8 p -75.56 -28.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.534 -0.303 . . . . 1.9199999999999999 111.427 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.29 -13.96 56.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 1.1699999999999999 110.95 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.45 142.39 56.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.036 -0.529 . . . . 1.23 110.662 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.77 -1.8 44.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.17 0.509 . . . . 2.6699999999999999 110.738 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.48 ' HB3' HG12 ' A' 1912 ' ' ILE . 53.4 t-20 -141.26 128.18 20.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.196 -0.668 . . . . 2.4900000000000002 109.196 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -66.26 -33.84 76.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.66 0.267 . . . . 2.2400000000000002 110.782 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.3 -35.42 77.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 2.4900000000000002 110.342 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.533 ' O ' HG13 ' A' 1916 ' ' ILE . 47.2 mm -66.05 -51.08 64.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.905 -0.588 . . . . 1.3899999999999999 110.059 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.54 -40.67 99.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.918 -0.658 . . . . 0.57999999999999996 112.248 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.66 94.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.996 0.427 . . . . 1.22 110.541 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.525 ' HD1' ' HA ' ' A' 1967 ' ' ALA . 2.6 t-80 -65.87 -37.96 87.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.104 -0.498 . . . . 2.1800000000000002 109.984 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' 1912 ' ' ILE . 92.1 mt -63.15 -55.3 24.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.198 -0.456 . . . . 1.1299999999999999 110.811 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.637 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.9 ptpt -60.37 -40.24 90.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.8100000000000001 111.055 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1918 ' ' HIS . . . . . 0.45 ' N ' ' HG3' ' A' 1917 ' ' LYS . 27.4 m170 -70.3 -26.68 63.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.607 -0.27 . . . . 2.52 111.592 -175.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.804 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 23.2 mmt180 -79.44 -26.59 41.76 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.827 -0.349 . . . . 3.1499999999999999 110.947 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' 1916 ' ' ILE . 28.9 t -72.86 -28.43 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.086 -0.709 . . . . 1.1200000000000001 109.086 172.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' 1917 ' ' LYS . 20.3 mm-40 -62.03 -40.71 96.65 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.337 -0.616 . . . . 1.22 109.337 172.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.9 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 1.6 mt-10 -55.51 -49.74 71.8 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.418 -0.81 . . . . 1.49 109.734 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.15 -41.64 97.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.196 -0.911 . . . . 1.3700000000000001 111.02 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.59 -45.93 66.87 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.25 -0.5 . . . . 0.64000000000000001 112.782 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -75.53 -41.03 56.1 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.93 -0.308 . . . . 0.85999999999999999 110.636 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.98 -52.34 28.99 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.977 -0.63 . . . . 0.28000000000000003 112.842 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 77.3 m -62.66 -37.69 87.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.596 0.198 . . . . 1.6599999999999999 111.056 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 23.4 t -58.28 -47.83 82.4 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.231 0.539 . . . . 1.5 109.994 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.17 95.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.572 -0.74 . . . . 1.01 110.532 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.747 HD12 HG21 ' A' 1868 ' ' VAL . 1.6 mt -59.31 -53.22 60.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.797 -0.638 . . . . 1.0700000000000001 111.577 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1931 ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' 1886 ' ' ALA . 26.7 m -66.18 -34.76 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 1.0800000000000001 110.893 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 92.0 m -68.1 -43.26 78.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.139 -0.482 . . . . 1.4099999999999999 110.838 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.449 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.9 tptt -67.85 -40.19 83.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 1.6799999999999999 110.177 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1934 ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' 1882 ' ' LEU . . . -61.86 -37.95 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 1.03 111.159 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.23 -41.07 96.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.757 -0.735 . . . . 0.42999999999999999 111.753 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.96 -33.71 63.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.952 0.406 . . . . 1.3100000000000001 110.641 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.488 HD11 HD11 ' A' 1882 ' ' LEU . 2.8 tm? -69.6 -36.47 76.25 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 116.117 -0.492 . . . . 1.1200000000000001 110.08 -177.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -70.48 -26.31 63.56 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.445 -0.502 . . . . 1.46 111.225 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.0 m -77.24 -29.35 54.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.963 0.411 . . . . 2.3599999999999999 110.259 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 5.2 m -135.23 69.29 69.32 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.804 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.21 -6.42 17.29 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.605 2.204 . . . . 0.72999999999999998 112.401 -174.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 49.7 m -108.76 9.06 27.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.669 -0.696 . . . . 1.95 111.061 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -91.3 111.83 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.851 -0.425 . . . . 1.1599999999999999 109.851 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 31.1 m -67.42 -36.85 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.96 111.728 -174.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 51.0 t80 -63.61 -50.47 69.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.946 -0.57 . . . . 2.25 111.027 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.407 ' HA ' ' HE3' ' A' 1933 ' ' LYS . 32.0 m -61.77 -41.9 98.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.267 -0.424 . . . . 1.1200000000000001 110.917 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.411 ' HB2' HD21 ' A' 1937 ' ' LEU . 38.6 ttpt -66.09 -45.63 80.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 1.8500000000000001 110.603 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 83.9 tttt -57.22 -46.13 83.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.834 -0.621 . . . . 3.1899999999999999 110.838 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.449 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 28.2 mt-10 -64.5 -37.63 88.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 1.53 111.461 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.34 -37.89 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.806 -0.442 . . . . 1.0900000000000001 109.806 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.478 HG22 HG21 ' A' 1872 ' ' VAL . 76.7 mt -58.31 -46.79 88.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.799 -0.445 . . . . 1.1100000000000001 109.799 173.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' 1956 ' ' ARG . 25.6 mm-40 -59.23 -48.37 81.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.901 -0.59 . . . . 2.1099999999999999 110.847 175.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.513 ' O ' HG21 ' A' 1957 ' ' VAL . 81.8 m -57.29 -45.13 84.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 1.6799999999999999 110.688 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.64 98.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 1.0800000000000001 111.07 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' A' 1959 ' ' GLU . 57.7 mtp180 -61.16 -41.97 97.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.45 . . . . 3.7200000000000002 110.358 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' A' 1960 ' ' LYS . 77.8 mtp180 -64.57 -43.49 93.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.061 -0.518 . . . . 3.6299999999999999 111.135 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.606 ' HB ' HG22 ' A' 1868 ' ' VAL . 87.6 t -66.08 -38.44 82.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.543 -0.299 . . . . 1.0600000000000001 110.823 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 35.1 t -56.19 -37.3 69.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 1.6599999999999999 110.215 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' 1955 ' ' ARG . 38.1 mt-10 -69.82 -33.38 72.24 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.099 -0.501 . . . . 1.8600000000000001 110.433 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.9 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.2 mmtt -67.2 -35.85 80.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.863 -0.608 . . . . 1.4199999999999999 110.159 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.76 HG22 HD12 ' A' 1864 ' ' ILE . 43.9 t -58.28 -46.16 89.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.381 -0.372 . . . . 1.0800000000000001 110.564 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 47.9 t -59.71 -37.4 78.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 1.54 110.053 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.804 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 24.8 m170 -65.03 -41.08 95.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.521 . . . . 1.8899999999999999 110.871 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' 1960 ' ' LYS . 61.5 t -69.01 -45.33 80.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 1.1200000000000001 110.56 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.7 -45.34 94.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.175 -0.466 . . . . 1.0800000000000001 110.665 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.79 66.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 1.1200000000000001 111.189 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1967 ' ' ALA . . . . . 0.525 ' HA ' ' HD1' ' A' 1915 ' ' HIS . . . -68.68 -44.56 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 1.0900000000000001 110.382 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.612 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -70.01 -46.28 65.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.054 -0.521 . . . . 1.1000000000000001 110.48 176.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.03 -21.73 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 1.7 111.835 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 121.028 0.442 . . . . 1.46 110.617 176.794 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.15 0.5 . . . . 1.28 110.077 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.36 -30.46 71.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.712 -0.677 . . . . 0.87 110.456 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 46.1 m -66.29 -32.39 73.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 1.3500000000000001 110.67 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.515 HG22 ' CE2' ' A' 1893 ' ' TYR . 66.7 mt -70.11 -46.17 73.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.089 -0.505 . . . . 1.0900000000000001 110.097 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 4.4 m -65.71 -37.87 87.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.846 -0.616 . . . . 1.1399999999999999 110.441 177.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -58.15 -43.41 87.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.329 -0.851 . . . . 3.02 109.847 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.528 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -61.27 -36.33 79.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.11 -0.95 . . . . 1.0600000000000001 111.501 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1835 ' ' ILE . . . . . 0.66 ' HA ' HE22 ' A' 1921 ' ' GLN . 34.7 mt -62.6 -40.43 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 1.1899999999999999 110.54 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1836 ' ' ASN . . . . . 0.471 ' N ' HD21 ' A' 1836 ' ' ASN . 0.9 OUTLIER -77.24 -40.27 45.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.057 -0.52 . . . . 0.80000000000000004 111.108 -175.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1837 ' ' GLN . . . . . 0.528 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.3 pt20 -64.09 -31.82 73.15 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.642 0.238 . . . . 1.0 111.642 -175.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 83.0 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 120.805 0.336 . . . . 1.25 110.729 -178.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.506 ' HB2' ' O ' ' A' 1906 ' ' ALA . 45.5 t80 . . . . . 0 N--CA 1.457 -0.109 0 N-CA-C 110.202 -0.296 . . . . 0.89000000000000001 110.202 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 4.9 p -57.77 -38.75 67.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.12 -0.491 . . . . 1.3400000000000001 111.579 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1852 ' ' ASP . . . . . 0.404 ' O ' HG21 ' A' 1855 ' ' THR . 13.9 t70 -64.35 -55.67 19.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.896 0.379 . . . . 1.71 110.514 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -63.83 -36.75 84.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 1.4299999999999999 110.579 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.641 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.7 tt0 -58.63 -55.74 31.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.5 . . . . 1.21 110.944 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.404 HG21 ' O ' ' A' 1852 ' ' ASP . 1.5 t -64.68 -26.09 68.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.485 . . . . 2.1099999999999999 110.618 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 16.5 m -75.54 -46.08 34.23 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.359 -0.382 . . . . 1.1899999999999999 110.029 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.507 ' HE2' HG21 ' A' 1916 ' ' ILE . 84.4 mtp -66.21 -45.84 79.33 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.232 -0.44 . . . . 1.1000000000000001 111.982 -177.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.719 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.8 m -60.08 -37.29 72.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.71 -0.396 . . . . 1.0700000000000001 111.227 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -71.89 -42.07 67.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.798 0.332 . . . . 3.6299999999999999 110.755 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.472 ' HB ' HD21 ' A' 1896 ' ' LEU . 16.6 m -65.87 -35.06 79.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 1.1100000000000001 110.591 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.519 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.02 -43.18 96.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 1.0900000000000001 110.585 176.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' 1858 ' ' VAL . 63.4 mttm -61.77 -32.35 72.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.984 0.421 . . . . 1.8799999999999999 110.636 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.47 82.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 1.1499999999999999 111.169 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.729 HD13 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.84 -26.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.374 -0.53 . . . . 1.0800000000000001 109.946 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.823 ' HB2' HG12 ' A' 1961 ' ' VAL . . . -72.08 -41.33 67.47 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.263 -0.426 . . . . 0.98999999999999999 111.499 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.4 p -66.78 -27.77 40.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.165 0.507 . . . . 1.45 109.832 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 85.2 m -71.52 -45.84 61.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.61 . . . . 1.0600000000000001 110.986 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.829 HG23 ' HB ' ' A' 1957 ' ' VAL . 3.9 p -71.65 -33.67 49.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 O-C-N 122.292 -0.255 . . . . 1.05 111.379 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -69.46 -26.39 64.56 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.185 -0.672 . . . . 0.91000000000000003 109.185 175.574 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' 1869 ' ' GLN . 7.1 tp10 -75.47 -35.67 60.81 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.634 -0.712 . . . . 0.56999999999999995 109.907 176.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.57 ' SD ' HD22 ' A' 1882 ' ' LEU . 4.9 mmt -51.49 -56.4 13.53 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.11 -0.495 . . . . 1.25 111.838 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.509 HG23 HG23 ' A' 1951 ' ' ILE . 8.6 p -59.04 -36.95 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 1.27 110.894 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 99.1 m -75.18 -42.39 55.94 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.099 -0.955 . . . . 1.1499999999999999 111.238 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.795 ' HE3' ' HA ' ' A' 1874 ' ' LYS . 0.0 OUTLIER -74.6 -34.52 62.86 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.531 -0.304 . . . . 1.97 111.653 -178.641 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 24.6 t -60.83 -27.39 68.03 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.184 0.516 . . . . 1.74 110.408 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -81.86 -26.65 34.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.781 -0.645 . . . . 0.76000000000000001 111.787 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 7.4 p -109.52 -45.98 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.097 0.777 . . . . 1.71 113.097 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.2 t -149.36 98.47 3.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.53 -0.544 . . . . 1.4299999999999999 109.53 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.97 -19.32 63.83 Favored 'Trans proline' 0 C--N 1.339 0.073 0 C-N-CA 122.805 2.337 . . . . 1.02 112.823 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.58 -15.54 59.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.781 0.324 . . . . 2.2400000000000002 111.294 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.694 ' O ' ' HG ' ' A' 1885 ' ' LEU . 37.5 mm-40 -76.23 -19.74 58.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.799 0.333 . . . . 1.8899999999999999 110.447 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.57 HD22 ' SD ' ' A' 1871 ' ' MET . 88.4 mt -67.18 -32.97 74.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.923 -0.58 . . . . 1.1399999999999999 111.699 -174.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -61.82 -55.57 27.66 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.714 -0.755 . . . . 0.42999999999999999 112.692 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -54.4 -38.47 89.33 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.664 2.243 . . . . 1.0 112.498 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.7 mt -69.68 -43.07 73.27 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.718 0.294 . . . . 1.0700000000000001 110.498 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1886 ' ' ALA . . . . . 0.424 ' HA ' HG11 ' A' 1931 ' ' VAL . . . -59.29 -31.95 69.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.173 0.511 . . . . 1.1000000000000001 109.914 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.03 -46.06 58.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.589 -0.732 . . . . 1.4299999999999999 110.446 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -67.32 -42.22 84.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 1.0700000000000001 110.621 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 42.3 tp -58.5 -35.89 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.154 0.502 . . . . 1.05 109.823 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 47.9 m -68.22 -51.8 41.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.576 -0.738 . . . . 1.0800000000000001 111.233 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 65.1 p -63.95 -47.89 78.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.293 0.568 . . . . 1.72 111.257 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.41 ' CB ' HG23 ' A' 1864 ' ' ILE . 1.4 m-20 -66.15 -32.66 74.24 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.347 -0.842 . . . . 0.80000000000000004 111.583 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1893 ' ' TYR . . . . . 0.515 ' CE2' HG22 ' A' 1831 ' ' ILE . 66.4 t80 -65.8 -43.22 89.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.733 0.301 . . . . 1.05 110.42 176.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.61 -29.15 63.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.013 -0.613 . . . . 0.34000000000000002 112.087 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -70.14 -46.67 64.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.149 -0.315 . . . . 3.48 110.149 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.472 HD21 ' HB ' ' A' 1860 ' ' THR . 17.2 mt -60.48 -39.75 88.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.327 -0.397 . . . . 1.45 110.974 176.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.43 72.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.027 -0.533 . . . . 1.1499999999999999 111.339 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 36.8 t -74.37 -36.83 63.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.14 -0.482 . . . . 1.8899999999999999 110.431 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -75.77 -30.68 59.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.948 -0.569 . . . . 1.5600000000000001 111.526 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.88 82.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.355 0.502 . . . . 1.0700000000000001 112.355 -175.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1901 ' ' LYS . . . . . . . . . . . . . 47.7 mttm -56.37 -58.74 14.96 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.166 0.432 . . . . 2.8500000000000001 112.166 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1902 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.63 -29.18 13.34 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 121.737 1.625 . . . . 0.87 112.632 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.81 99.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 1.0700000000000001 111.018 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.54 99.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 1.0800000000000001 111.723 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 7.9 p -77.04 -27.38 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.352 -0.386 . . . . 1.9199999999999999 111.618 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1906 ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -93.94 0.5 56.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.652 0.263 . . . . 1.1699999999999999 111.578 -176.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1907 ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' 1850 ' ' PHE . . . -67.34 155.55 38.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.457 . . . . 1.23 111.568 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -61.21 -51.54 68.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.662 -0.699 . . . . 2.6699999999999999 111.747 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.517 ' HB2' HD11 ' A' 1912 ' ' ILE . 65.7 m-20 -116.37 159.99 21.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.49 -0.323 . . . . 2.4900000000000002 110.354 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.07 -33.93 76.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 2.2400000000000002 110.908 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.34 -44.72 78.36 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.855 0.36 . . . . 2.4900000000000002 110.239 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.54 ' O ' HG13 ' A' 1916 ' ' ILE . 2.0 mp -58.53 -49.48 82.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 1.3899999999999999 110.187 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.16 -42.06 99.72 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.722 -0.752 . . . . 0.57999999999999996 112.415 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.25 87.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.034 0.445 . . . . 1.22 110.753 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.541 ' O ' ' HG2' ' A' 1919 ' ' ARG . 16.2 m-70 -68.38 -37.32 80.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 2.1800000000000002 110.93 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' 1912 ' ' ILE . 70.3 mt -56.56 -54.96 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.592 0.234 . . . . 1.1299999999999999 111.197 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' 1921 ' ' GLN . 19.7 ptpt -63.15 -34.6 77.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 1.8100000000000001 110.85 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -71.36 -37.7 71.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.052 0.39 . . . . 2.52 112.052 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.687 ' HA ' ' HG3' ' A' 1922 ' ' GLU . 37.9 mmt180 -70.15 -29.3 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.771 0.32 . . . . 3.1499999999999999 111.508 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 39.9 t -71.69 -27.86 29.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.097 0.475 . . . . 1.1200000000000001 110.085 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.66 HE22 ' HA ' ' A' 1835 ' ' ILE . 0.0 OUTLIER -68.68 -25.66 64.91 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.717 -0.475 . . . . 1.22 109.717 177.471 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.724 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 9.0 mt-10 -67.16 -45.2 77.72 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.0 -0.546 . . . . 1.49 109.714 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.66 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.2 mt -66.67 -30.43 70.68 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.805 -0.813 . . . . 1.3700000000000001 108.805 173.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -56.36 -31.38 59.63 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.792 -0.718 . . . . 0.64000000000000001 112.128 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -94.58 -42.96 8.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.673 0.273 . . . . 0.85999999999999999 110.817 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.65 -55.11 12.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.843 -0.694 . . . . 0.28000000000000003 112.626 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 87.7 m -61.36 -37.75 84.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.281 0.232 . . . . 1.6599999999999999 110.861 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 9.2 t -62.69 -46.34 88.62 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.989 0.424 . . . . 1.5 110.023 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.86 93.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 1.01 110.646 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.6 HD12 HG21 ' A' 1957 ' ' VAL . 0.4 OUTLIER -61.65 -53.07 61.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 1.0700000000000001 110.785 -178.475 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1931 ' ' VAL . . . . . 0.424 HG11 ' HA ' ' A' 1886 ' ' ALA . 28.9 m -63.04 -38.13 81.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.773 0.32 . . . . 1.0800000000000001 110.793 -178.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 98.3 m -62.44 -45.97 90.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.224 0.535 . . . . 1.4099999999999999 110.385 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.478 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.8 tptt -67.25 -38.22 84.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.481 -0.781 . . . . 1.6799999999999999 110.852 -176.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1934 ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -60.51 -42.39 96.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.603 -0.271 . . . . 1.03 111.449 177.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.33 98.01 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.479 -0.867 . . . . 0.42999999999999999 111.587 176.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.24 -23.77 59.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.861 0.362 . . . . 1.3100000000000001 111.032 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.555 HD11 HD13 ' A' 1882 ' ' LEU . 2.7 tm? -77.43 -34.98 54.45 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.509 -0.552 . . . . 1.1200000000000001 109.509 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -69.95 -25.97 63.9 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.302 -0.559 . . . . 1.46 110.043 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 35.3 t -77.38 -17.89 57.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.342 -0.844 . . . . 2.3599999999999999 110.423 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 22.9 m -150.95 67.57 7.81 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 1.0 110.14 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -67.42 -15.71 46.04 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.704 2.269 . . . . 0.72999999999999998 113.089 -173.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 23.1 t -104.69 5.89 33.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.281 -0.418 . . . . 1.95 110.711 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -89.65 112.87 24.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.734 0.302 . . . . 1.1599999999999999 110.527 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 13.6 m -64.31 -37.69 80.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.049 -0.523 . . . . 1.96 112.062 -176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.482 ' O ' ' HG3' ' A' 1949 ' ' GLU . 36.2 t80 -60.29 -52.2 66.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.717 0.294 . . . . 2.25 110.464 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 32.4 m -63.35 -44.1 95.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 1.1200000000000001 111.289 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.51 -47.27 82.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 1.8500000000000001 111.005 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.56 -41.2 89.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 3.1899999999999999 110.782 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' 1945 ' ' TYR . 49.5 mt-10 -66.08 -36.04 82.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 1.53 111.007 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.3 -39.67 85.96 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.927 -0.398 . . . . 1.0900000000000001 109.927 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.584 ' O ' ' HG3' ' A' 1955 ' ' ARG . 81.2 mt -57.62 -44.33 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 1.1100000000000001 109.845 175.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -62.18 -42.96 99.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.826 -0.625 . . . . 2.1099999999999999 111.057 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.528 ' O ' HG23 ' A' 1957 ' ' VAL . 71.8 m -59.31 -44.51 92.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 1.6799999999999999 110.414 177.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.86 89.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 1.0800000000000001 110.889 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' 1951 ' ' ILE . 82.2 mtp180 -60.65 -46.47 90.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.512 . . . . 3.7200000000000002 110.456 177.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' 1960 ' ' LYS . 46.7 mtm180 -64.65 -43.7 92.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.734 -0.666 . . . . 3.6299999999999999 111.269 -178.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.829 ' HB ' HG23 ' A' 1868 ' ' VAL . 61.4 t -62.79 -44.73 99.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.595 0.236 . . . . 1.0600000000000001 110.569 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 41.9 m -55.91 -37.56 69.07 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.282 -0.417 . . . . 1.6599999999999999 110.804 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.458 ' O ' ' HD2' ' A' 1963 ' ' HIS . 47.2 mt-10 -60.85 -51.36 69.65 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.148 0.499 . . . . 1.8600000000000001 110.335 176.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.724 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.2 mmtt -59.42 -37.66 78.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.268 -0.878 . . . . 1.4199999999999999 111.382 -173.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.823 HG12 ' HB2' ' A' 1865 ' ' ALA . 23.8 t -55.51 -44.99 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.053 0.454 . . . . 1.0800000000000001 110.473 178.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 22.7 t -62.94 -37.94 89.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.756 -0.656 . . . . 1.54 110.125 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.55 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 75.5 m-70 -67.38 -40.39 85.69 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.247 -0.433 . . . . 1.8899999999999999 110.425 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.537 HG22 ' HB3' ' A' 1919 ' ' ARG . 62.3 t -62.31 -50.62 79.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.089 0.471 . . . . 1.1200000000000001 110.102 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' 1861 ' ' ALA . 97.3 mt -59.21 -36.1 74.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.738 -0.665 . . . . 1.0800000000000001 110.907 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.01 85.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.415 -0.357 . . . . 1.1200000000000001 111.033 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.78 99.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.368 -0.378 . . . . 1.0900000000000001 111.252 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.641 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.0 mm? -68.84 -51.69 37.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 1.1000000000000001 111.098 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -14.93 63.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.168 -0.469 . . . . 1.7 111.706 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.963 0.411 . . . . 1.46 110.898 175.575 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.235 0.322 0 CA-C-O 121.091 0.472 . . . . 1.28 111.246 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.42 -44.46 78.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.25 0.548 . . . . 0.87 110.322 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 14.8 m -64.59 -38.55 91.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.513 -0.767 . . . . 1.3500000000000001 111.055 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.41 -44.53 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.141 0.496 . . . . 1.0900000000000001 110.601 177.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 34.3 m -64.7 -32.98 74.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.84 -0.618 . . . . 1.1399999999999999 111.166 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.56 -39.12 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.777 -0.453 . . . . 3.02 109.777 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' 1897 ' ' ALA . . . -62.19 -32.72 73.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.845 -0.616 . . . . 1.0600000000000001 111.2 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1835 ' ' ILE . . . . . 0.495 ' HA ' HE22 ' A' 1921 ' ' GLN . 43.5 mt -64.79 -51.32 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 1.1899999999999999 110.347 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -65.94 -30.27 70.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.664 -0.698 . . . . 0.80000000000000004 112.27 -173.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1837 ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' 1834 ' ' ALA . 11.4 pt20 -72.07 -34.69 68.89 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.075 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.435 ' HB3' ' HB3' ' A' 1917 ' ' LYS . 74.4 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 1.25 111.159 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.473 ' HE1' HD11 ' A' 1916 ' ' ILE . 87.1 t80 . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 110.236 -0.283 . . . . 0.89000000000000001 110.236 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.9 p -62.34 -36.35 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 1.3400000000000001 111.137 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.9 -48.36 76.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.075 0.464 . . . . 1.71 110.365 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.427 ' HD1' ' HB3' ' A' 1899 ' ' GLN . 50.4 m-85 -67.78 -42.42 81.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.039 -0.528 . . . . 1.4299999999999999 110.708 176.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.638 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 56.8 tt0 -56.32 -55.46 33.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.829 -0.623 . . . . 1.21 111.414 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.548 ' O ' ' HG3' ' A' 1859 ' ' ARG . 10.9 t -60.47 -28.18 68.13 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.35 -0.386 . . . . 2.1099999999999999 110.633 -177.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 33.9 m -78.0 -51.69 9.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.203 -0.453 . . . . 1.1899999999999999 110.825 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 81.9 mtp -60.66 -41.38 94.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.518 . . . . 1.1000000000000001 112.092 -176.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.71 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -62.81 -31.73 53.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.461 -0.495 . . . . 1.0700000000000001 111.072 -178.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' 1855 ' ' THR . 34.4 mtt180 -70.89 -44.02 67.17 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.02 0.438 . . . . 3.6299999999999999 110.15 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.417 ' O ' HG22 ' A' 1864 ' ' ILE . 32.0 m -66.18 -34.74 78.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.648 -0.706 . . . . 1.1100000000000001 110.756 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.36 -43.58 98.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.425 -0.352 . . . . 1.0900000000000001 110.447 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.71 ' HG3' ' O ' ' A' 1858 ' ' VAL . 83.4 mttt -61.83 -35.03 77.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.252 0.549 . . . . 1.8799999999999999 110.056 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.58 -42.67 77.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.658 -0.701 . . . . 1.1499999999999999 111.459 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.715 HD11 HG21 ' A' 1961 ' ' VAL . 1.4 pp -72.32 -26.16 24.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.292 -0.563 . . . . 1.0800000000000001 109.652 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.787 ' HB1' HG11 ' A' 1961 ' ' VAL . . . -68.98 -40.48 78.77 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.892 -0.595 . . . . 0.98999999999999999 111.267 178.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.457 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.6 p -73.79 -27.37 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.161 -0.616 . . . . 1.45 109.836 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.516 HG21 ' HB2' ' A' 1889 ' ' LEU . 61.7 m -64.85 -50.55 66.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.05 -0.523 . . . . 1.0600000000000001 110.55 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.725 HG23 HD12 ' A' 1930 ' ' LEU . 2.8 p -66.3 -37.59 80.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.698 -0.228 . . . . 1.05 111.287 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.76 -26.89 67.19 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.757 -0.46 . . . . 0.91000000000000003 109.757 178.42 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.4 -43.57 32.2 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 109.689 -0.486 . . . . 0.56999999999999995 109.689 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.452 ' HE3' HD23 ' A' 1930 ' ' LEU . 34.7 mmm -58.03 -47.76 82.12 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.292 -0.413 . . . . 1.25 111.606 -177.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' 1951 ' ' ILE . 12.3 p -60.32 -33.44 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.409 0.623 . . . . 1.27 110.571 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 92.9 m -80.57 -47.95 13.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.253 -0.885 . . . . 1.1499999999999999 111.281 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 7.9 mmpt? -63.08 -28.61 70.19 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.181 -0.463 . . . . 1.97 111.643 -176.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 48.8 m -56.9 -24.12 49.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.075 0.464 . . . . 1.74 111.246 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -81.26 -38.89 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.999 -0.546 . . . . 0.76000000000000001 111.796 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 68.5 p -108.71 -33.01 7.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.569 0.581 . . . . 1.71 112.569 -172.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.3 m -145.22 83.25 9.3 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.238 -0.437 . . . . 1.4299999999999999 110.972 -165.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.3 -31.36 53.07 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.343 2.028 . . . . 1.02 112.478 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.99 -28.26 66.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.443 -0.344 . . . . 2.2400000000000002 111.573 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.44 -11.0 60.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.739 0.304 . . . . 1.8899999999999999 111.095 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1882 ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.03 -26.04 65.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.228 -0.442 . . . . 1.1399999999999999 110.72 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.39 -55.69 17.07 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.412 -0.899 . . . . 0.42999999999999999 112.697 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.74 -39.85 78.32 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.672 2.248 . . . . 1.0 112.742 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.429 ' HB2' ' SD ' ' A' 1871 ' ' MET . 74.3 mt -69.73 -43.84 71.51 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.564 -0.289 . . . . 1.0700000000000001 110.826 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1886 ' ' ALA . . . . . 0.492 ' HB2' HG13 ' A' 1931 ' ' VAL . . . -56.53 -34.84 67.42 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.091 0.472 . . . . 1.1000000000000001 110.296 174.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -69.08 -44.75 71.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.653 -0.703 . . . . 1.4299999999999999 110.587 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.45 -41.88 83.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.158 -0.474 . . . . 1.0700000000000001 110.484 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.516 ' HB2' HG21 ' A' 1867 ' ' THR . 54.2 tp -57.04 -39.84 75.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.218 0.532 . . . . 1.05 109.693 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 54.7 m -71.12 -44.0 66.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.305 -0.861 . . . . 1.0800000000000001 111.811 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 50.5 p -72.32 -51.37 21.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.791 0.329 . . . . 1.72 111.036 -175.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.63 -39.34 76.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.102 -0.499 . . . . 0.80000000000000004 110.811 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1893 ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 51.1 t80 -64.12 -44.19 92.96 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.656 0.265 . . . . 1.05 110.867 176.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.67 -37.51 83.68 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.888 -0.673 . . . . 0.34000000000000002 111.619 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' 1895 ' ' ARG . 53.6 mtp180 -65.74 -45.84 81.09 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.114 -0.328 . . . . 3.48 110.114 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.402 HD21 ' HB ' ' A' 1860 ' ' THR . 42.8 mt -52.92 -51.75 60.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 1.45 110.475 174.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1897 ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' 1834 ' ' ALA . . . -63.21 -30.94 71.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.631 . . . . 1.1499999999999999 111.802 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1898 ' ' SER . . . . . 0.407 ' O ' ' HD2' ' A' 1902 ' ' PRO . 49.9 m -71.18 -60.16 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.769 -0.196 . . . . 1.8899999999999999 110.744 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.427 ' HB3' ' HD1' ' A' 1853 ' ' TYR . 1.1 mp0 -63.21 -24.5 67.91 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.405 0.52 . . . . 1.5600000000000001 112.405 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.9 -31.0 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.088 0.403 . . . . 1.0700000000000001 112.088 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.416 ' HB3' ' CD ' ' A' 1902 ' ' PRO . 77.9 tttt -70.06 -55.26 8.58 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.536 -0.302 . . . . 2.8500000000000001 111.327 -174.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.416 ' CD ' ' HB3' ' A' 1901 ' ' LYS . 25.7 Cg_endo -64.75 -29.25 59.62 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 121.916 1.744 . . . . 0.87 112.166 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.67 87.02 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.977 0.418 . . . . 1.0700000000000001 110.367 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1904 ' ' ALA . . . . . 0.488 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -62.67 -43.81 97.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.529 -0.76 . . . . 1.0800000000000001 111.479 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 9.2 p -76.77 -27.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 1.9199999999999999 111.263 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -67.91 -29.33 68.39 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.021 0.439 . . . . 1.1699999999999999 110.705 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.97 148.04 51.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.759 -0.655 . . . . 1.23 110.038 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.45 -24.98 29.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 2.6699999999999999 110.532 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.65 ' HB2' HG12 ' A' 1912 ' ' ILE . 90.4 m-20 -97.66 123.05 41.42 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.768 -0.456 . . . . 2.4900000000000002 109.768 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.84 -35.63 75.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.169 0.509 . . . . 2.2400000000000002 109.888 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1911 ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' 1915 ' ' HIS . 2.0 mp0 -62.52 -34.81 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.747 -0.66 . . . . 2.4900000000000002 110.855 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.65 HG12 ' HB2' ' A' 1909 ' ' ASN . 46.5 mm -66.45 -47.0 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.52 -0.548 . . . . 1.3899999999999999 109.52 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1913 ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -60.15 -44.34 97.46 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.652 -0.704 . . . . 0.57999999999999996 111.965 176.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.9 94.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.255 0.55 . . . . 1.22 110.116 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' 1911 ' ' GLU . 2.9 t-160 -62.25 -40.16 95.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.886 -1.052 . . . . 2.1800000000000002 110.544 -177.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' 1920 ' ' VAL . 93.2 mt -62.0 -55.33 24.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.364 -0.38 . . . . 1.1299999999999999 110.796 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.572 ' O ' ' HG2' ' A' 1921 ' ' GLN . 46.5 mtmt -61.62 -46.11 91.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.583 . . . . 1.8100000000000001 111.049 -176.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -65.64 -29.25 69.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.765 -0.652 . . . . 2.52 112.038 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' 1919 ' ' ARG . 25.2 mmt180 -78.62 -26.48 45.28 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.695 -0.402 . . . . 3.1499999999999999 110.889 177.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' 1916 ' ' ILE . 59.6 t -72.55 -30.53 34.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.248 -0.649 . . . . 1.1200000000000001 109.248 173.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' 1917 ' ' LYS . 22.7 mm-40 -62.34 -31.27 71.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.677 -0.692 . . . . 1.22 110.055 174.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' 1919 ' ' ARG . 17.0 mm-40 -56.73 -51.42 68.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.892 -0.595 . . . . 1.49 110.335 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.66 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 14.2 mt -69.9 -25.98 63.95 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 109.389 -0.597 . . . . 1.3700000000000001 109.389 177.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1924 ' ' GLY . . . . . 0.47 ' O ' HD11 ' A' 1835 ' ' ILE . . . -56.11 -31.66 59.16 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.954 -0.641 . . . . 0.64000000000000001 112.361 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -99.09 -39.25 8.6 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.938 -0.305 . . . . 0.85999999999999999 110.527 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.26 -52.73 25.51 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.859 -0.686 . . . . 0.28000000000000003 112.502 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 92.5 m -64.49 -34.62 78.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.788 0.328 . . . . 1.6599999999999999 110.387 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1928 ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' 1924 ' ' GLY . 16.4 t -60.51 -49.97 75.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.45 0.643 . . . . 1.5 109.84 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.73 92.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.334 -0.848 . . . . 1.01 110.826 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.725 HD12 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.1 -52.25 65.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.759 -0.655 . . . . 1.0700000000000001 111.004 -179.113 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1931 ' ' VAL . . . . . 0.492 HG13 ' HB2' ' A' 1886 ' ' ALA . 25.5 m -69.43 -32.85 54.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.425 -0.352 . . . . 1.0800000000000001 111.711 -174.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 12.0 t -79.03 -28.32 43.28 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.726 -0.39 . . . . 1.4099999999999999 110.806 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.45 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 39.2 tptt -75.06 -32.11 61.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.906 -0.405 . . . . 1.6799999999999999 109.906 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.97 69.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.874 -0.603 . . . . 1.03 110.689 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -57.21 -40.86 92.38 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.42999999999999999 112.292 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -80.43 -29.81 37.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.723 0.297 . . . . 1.3100000000000001 110.811 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.476 HD11 ' O ' ' A' 1937 ' ' LEU . 2.2 tm? -70.06 -32.77 71.02 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.741 -0.466 . . . . 1.1200000000000001 109.741 -177.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -77.69 -25.3 49.38 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.975 0.417 . . . . 1.46 111.166 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 21.0 t -76.52 -28.88 56.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.246 0.546 . . . . 2.3599999999999999 109.627 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 25.2 m -145.9 77.24 12.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.842 -0.617 . . . . 1.0 109.882 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -65.02 -18.04 60.95 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.956 2.437 . . . . 0.72999999999999998 112.678 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 44.8 t -92.85 -4.76 52.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.731 -0.668 . . . . 1.95 110.573 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -81.12 109.03 15.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.222 0.535 . . . . 1.1599999999999999 110.286 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 60.7 t -66.52 -33.83 66.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.723 -0.671 . . . . 1.96 111.409 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' 1949 ' ' GLU . 75.5 t80 -61.17 -53.04 61.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.523 -0.308 . . . . 2.25 110.715 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 40.8 m -58.19 -44.49 88.08 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.444 -0.343 . . . . 1.1200000000000001 110.868 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.559 ' O ' HG13 ' A' 1951 ' ' ILE . 28.3 ttpp -61.88 -45.05 95.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 1.8500000000000001 110.15 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' 1952 ' ' GLU . 32.7 ttpt -60.37 -47.57 85.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 3.1899999999999999 110.603 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' 1945 ' ' TYR . 56.3 mm-40 -57.58 -42.1 82.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 1.53 110.449 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.449 ' HG ' HD21 ' A' 1930 ' ' LEU . 7.8 tt -66.31 -41.58 89.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 1.0900000000000001 110.431 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' 1947 ' ' LYS . 96.7 mt -56.93 -44.59 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 1.1100000000000001 110.1 176.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' 1948 ' ' LYS . 7.0 mm-40 -62.34 -41.02 98.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 2.1099999999999999 110.574 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' 1957 ' ' VAL . 73.0 m -62.17 -46.08 90.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 1.6799999999999999 110.497 176.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.43 94.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 1.0800000000000001 111.336 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' 1951 ' ' ILE . 82.5 mtp180 -56.87 -47.24 80.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 3.7200000000000002 110.483 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.572 ' O ' ' HG2' ' A' 1960 ' ' LYS . 61.7 mtm180 -60.55 -45.94 92.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.729 -0.669 . . . . 3.6299999999999999 110.726 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.639 ' HB ' HG21 ' A' 1868 ' ' VAL . 63.5 t -59.05 -50.57 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 1.0600000000000001 110.873 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 32.6 t -57.77 -35.7 71.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 1.6599999999999999 110.833 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.37 -39.82 67.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 1.8600000000000001 111.099 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' 1956 ' ' ARG . 28.8 mmtp -68.35 -28.14 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.428 -0.351 . . . . 1.4199999999999999 111.173 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.787 HG11 ' HB1' ' A' 1865 ' ' ALA . 58.1 t -54.72 -50.03 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.953 0.406 . . . . 1.0800000000000001 110.643 175.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 46.6 m -60.01 -33.04 71.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.827 -0.624 . . . . 1.54 110.909 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 65.6 m80 -71.32 -35.69 71.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 1.8899999999999999 110.695 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' 1960 ' ' LYS . 59.7 t -66.83 -46.96 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.097 0.475 . . . . 1.1200000000000001 110.095 176.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 65.9 mt -57.99 -48.19 80.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.706 -0.679 . . . . 1.0800000000000001 110.284 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.19 69.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 1.1200000000000001 111.155 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.59 -43.64 93.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.371 -0.377 . . . . 1.0900000000000001 110.895 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.638 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -69.24 -49.64 54.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 1.1000000000000001 110.651 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.04 -26.34 64.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 1.7 111.534 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 1.46 111.53 -179.38 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.264 0.554 . . . . 1.28 109.603 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -61.63 -41.38 97.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.538 -0.756 . . . . 0.87 110.23 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 42.4 m -60.36 -37.38 80.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.654 . . . . 1.3500000000000001 111.17 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 54.9 mt -66.2 -47.17 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.943 0.401 . . . . 1.0900000000000001 110.443 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 14.8 m -62.23 -43.36 98.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.94 -0.573 . . . . 1.1399999999999999 110.874 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.37 -27.9 65.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.418 -0.356 . . . . 3.02 111.039 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.537 ' HB2' ' HE2' ' A' 1893 ' ' TYR . . . -67.55 -28.99 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.997 0.427 . . . . 1.0600000000000001 110.702 176.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 54.5 mt -70.88 -48.8 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.421 -0.585 . . . . 1.1899999999999999 109.421 171.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -59.58 -45.0 93.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.339 -0.846 . . . . 0.80000000000000004 111.686 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -59.23 -34.53 72.32 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.583 0.23 . . . . 1.0 111.29 -176.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.458 HD22 ' HB2' ' A' 1900 ' ' ALA . 35.6 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.155 0.502 . . . . 1.25 110.733 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.51 ' HE1' HD11 ' A' 1916 ' ' ILE . 73.2 t80 . . . . . 0 C--O 1.227 -0.081 0 CA-C-O 120.427 0.156 . . . . 0.89000000000000001 110.731 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.5 p -63.13 -37.83 80.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.788 0.328 . . . . 1.3400000000000001 111.116 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.78 -51.16 52.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.433 -0.348 . . . . 1.71 110.253 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -61.28 -43.49 98.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.4299999999999999 110.798 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.642 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 47.9 tt0 -54.98 -56.95 14.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 1.21 111.074 178.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 26.2 m -61.37 -33.54 73.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.825 -0.625 . . . . 2.1099999999999999 111.07 -177.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 29.7 m -71.54 -47.1 57.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.289 -0.414 . . . . 1.1899999999999999 110.674 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 85.7 mtp -65.85 -42.32 90.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 1.1000000000000001 112.132 -175.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.679 ' O ' ' HG3' ' A' 1862 ' ' LYS . 25.6 m -64.2 -31.06 51.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.191 -0.604 . . . . 1.0700000000000001 110.85 -178.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -70.22 -48.49 56.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.921 0.391 . . . . 3.6299999999999999 110.529 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 15.5 m -63.46 -33.17 74.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.911 -0.586 . . . . 1.1100000000000001 110.913 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.96 -39.73 94.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 1.0900000000000001 110.739 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.679 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.3 mttt -64.66 -34.99 79.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.021 0.439 . . . . 1.8799999999999999 110.029 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.26 -44.85 90.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.757 -0.656 . . . . 1.1499999999999999 111.213 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.715 HD12 HG23 ' A' 1961 ' ' VAL . 1.4 pp -73.59 -28.2 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.41 -0.516 . . . . 1.0800000000000001 109.86 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.806 ' HB2' HG13 ' A' 1961 ' ' VAL . . . -71.15 -42.56 68.99 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.286 -0.415 . . . . 0.98999999999999999 111.473 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.417 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.7 p -69.8 -23.65 25.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.297 0.57 . . . . 1.45 110.027 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 91.9 m -74.92 -47.86 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.786 -0.643 . . . . 1.0600000000000001 110.899 174.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.875 HG23 ' HB ' ' A' 1957 ' ' VAL . 5.3 p -66.95 -36.36 76.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.6 0.238 . . . . 1.05 110.905 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -68.07 -26.71 65.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.28 0.562 . . . . 0.91000000000000003 109.577 176.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.433 ' HG3' ' HG2' ' A' 1874 ' ' LYS . 7.7 tp10 -77.3 -31.99 55.09 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.11 -0.496 . . . . 0.56999999999999995 110.085 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.508 ' SD ' HD23 ' A' 1882 ' ' LEU . 7.0 mmt -52.48 -56.13 17.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.126 -0.488 . . . . 1.25 111.86 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.413 HG21 HG21 ' A' 1951 ' ' ILE . 3.4 p -55.95 -42.41 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.343 0.592 . . . . 1.27 111.082 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 52.4 m -73.62 -40.75 63.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.305 -0.861 . . . . 1.1499999999999999 111.49 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.834 ' HE3' ' HA ' ' A' 1874 ' ' LYS . 0.0 OUTLIER -73.57 -31.78 63.79 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.626 -0.261 . . . . 1.97 111.682 -178.295 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.613 ' HB3' ' HG3' ' A' 1947 ' ' LYS . 43.1 m -60.01 -30.15 68.96 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.556 0.693 . . . . 1.74 110.138 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -81.86 -32.94 30.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.132 -0.94 . . . . 0.76000000000000001 112.16 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 4.5 p -109.21 -37.12 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.234 0.828 . . . . 1.71 113.234 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 75.2 m -150.08 82.49 6.46 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.412 -0.358 . . . . 1.4299999999999999 110.479 -171.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.58 -20.35 69.24 Favored 'Trans proline' 0 C--N 1.34 0.095 0 C-N-CA 122.569 2.18 . . . . 1.02 112.445 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -75.76 -13.86 60.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.057 -0.52 . . . . 2.2400000000000002 110.962 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' 1885 ' ' LEU . 6.3 mm-40 -80.86 -16.96 52.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.8899999999999999 111.273 178.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.543 HD12 HD12 ' A' 1937 ' ' LEU . 94.6 mt -65.74 -35.5 80.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.261 -0.427 . . . . 1.1399999999999999 111.814 -174.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -63.14 -55.33 26.9 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.6 -0.809 . . . . 0.42999999999999999 112.479 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.61 -36.1 79.67 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.871 2.38 . . . . 1.0 112.901 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.552 HD12 ' HG3' ' A' 1874 ' ' LYS . 83.8 mt -73.23 -43.64 60.85 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.591 -0.277 . . . . 1.0700000000000001 110.639 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.05 -32.62 66.4 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.682 -0.488 . . . . 1.1000000000000001 109.682 174.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.88 -48.95 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.514 -0.766 . . . . 1.4299999999999999 110.748 178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -68.49 -41.72 79.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.482 -0.326 . . . . 1.0700000000000001 110.85 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.509 HD11 ' HB ' ' A' 1864 ' ' ILE . 54.7 tp -58.95 -31.12 68.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.17 0.51 . . . . 1.05 109.99 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 47.7 m -78.6 -49.33 13.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.521 -0.763 . . . . 1.0800000000000001 111.469 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 31.8 p -65.81 -50.65 63.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.384 -0.371 . . . . 1.72 111.785 -173.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.87 -33.74 76.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.171 -0.468 . . . . 0.80000000000000004 111.372 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1893 ' ' TYR . . . . . 0.537 ' HE2' ' HB2' ' A' 1834 ' ' ALA . 67.2 t80 -61.15 -40.83 95.3 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.935 -0.306 . . . . 1.05 110.486 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.89 -38.12 64.1 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.06 -0.59 . . . . 0.34000000000000002 112.045 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -63.96 -52.61 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.516 -0.55 . . . . 3.48 109.516 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1896 ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.86 -51.51 56.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.52 -0.764 . . . . 1.45 111.45 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1897 ' ' ALA . . . . . 0.585 ' HA ' HG12 ' A' 1920 ' ' VAL . . . -62.0 -40.55 96.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.827 -0.624 . . . . 1.1499999999999999 112.046 -176.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 70.8 m -75.19 -32.84 61.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.744 0.276 . . . . 1.8899999999999999 111.744 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.546 ' O ' ' HD2' ' A' 1902 ' ' PRO . 16.3 mt-30 -77.68 -24.68 49.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.666 0.269 . . . . 1.5600000000000001 111.667 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1900 ' ' ALA . . . . . 0.458 ' HB2' HD22 ' A' 1838 ' ' LEU . . . -69.7 -28.59 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 1.0700000000000001 111.559 -178.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.675 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 58.1 mtpt -61.61 -53.04 65.09 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.21 0.448 . . . . 2.8500000000000001 112.21 -178.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.675 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 12.9 Cg_exo -70.29 -32.94 15.48 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 121.953 1.768 . . . . 0.87 112.123 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.15 79.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.404 -0.362 . . . . 1.0700000000000001 111.12 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.83 92.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.025 -0.534 . . . . 1.0800000000000001 111.049 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 44.3 t -75.5 -32.97 26.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.944 -0.571 . . . . 1.9199999999999999 111.029 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -65.3 -31.17 72.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 1.1699999999999999 111.362 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -65.78 153.9 40.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 1.23 111.139 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -69.02 -30.97 69.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 2.6699999999999999 112.145 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.656 ' HB3' ' CG1' ' A' 1912 ' ' ILE . 43.6 t-20 -125.38 138.88 54.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.296 -0.411 . . . . 2.4900000000000002 110.036 -173.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -51.39 -44.36 62.17 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.684 -0.689 . . . . 2.2400000000000002 111.497 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.4 -38.88 88.48 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.046 0.451 . . . . 2.4900000000000002 110.868 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.656 ' CG1' ' HB3' ' A' 1909 ' ' ASN . 15.8 mm -58.28 -40.22 76.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.69 -0.686 . . . . 1.3899999999999999 109.539 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -77.12 -35.77 37.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.02 -0.61 . . . . 0.57999999999999996 112.248 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.81 85.87 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.562 0.696 . . . . 1.22 110.352 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.659 ' O ' ' HG2' ' A' 1919 ' ' ARG . 26.0 t-80 -63.06 -38.2 90.25 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.871 -1.059 . . . . 2.1800000000000002 110.377 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.51 HD11 ' HE1' ' A' 1850 ' ' PHE . 95.9 mt -65.23 -54.24 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 1.1299999999999999 110.925 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -65.02 -34.52 78.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 1.8100000000000001 111.232 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1918 ' ' HIS . . . . . 0.427 ' O ' ' HG2' ' A' 1922 ' ' GLU . 17.9 t-80 -69.97 -28.64 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 2.52 110.775 -176.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.691 ' HB3' HG21 ' A' 1964 ' ' VAL . 12.8 mmm180 -63.43 -40.55 97.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 3.1499999999999999 111.166 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' 1897 ' ' ALA . 24.6 t -71.43 -28.21 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.214 -0.448 . . . . 1.1200000000000001 110.46 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' A' 1838 ' ' LEU . 21.2 mm-40 -61.06 -40.35 93.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.206 0.527 . . . . 1.22 109.903 175.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.502 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 16.2 mm-40 -61.67 -42.61 99.15 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.307 -0.861 . . . . 1.49 109.943 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' 1923 ' ' LEU . 18.2 mt -64.43 -43.71 93.49 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.25 -0.886 . . . . 1.3700000000000001 111.148 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.85 -44.46 55.49 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.182 -0.532 . . . . 0.64000000000000001 112.979 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -65.79 -43.13 89.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.771 0.319 . . . . 0.85999999999999999 110.64 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -71.45 -53.51 10.07 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.884 -0.674 . . . . 0.28000000000000003 112.449 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 71.5 m -55.61 -43.41 76.07 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.311 0.244 . . . . 1.6599999999999999 111.146 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 16.5 t -59.78 -49.81 76.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.739 0.304 . . . . 1.5 110.505 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.1 93.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 1.01 110.992 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.607 HD12 HG22 ' A' 1957 ' ' VAL . 0.4 OUTLIER -64.7 -53.34 48.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.021 -0.536 . . . . 1.0700000000000001 110.667 -178.012 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 29.8 m -63.85 -35.19 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 1.0800000000000001 110.632 -178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 96.5 m -65.14 -38.4 90.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.041 -0.527 . . . . 1.4099999999999999 110.778 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.473 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.0 tptt -74.21 -37.84 63.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.12 -0.491 . . . . 1.6799999999999999 110.269 -178.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1934 ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' 1882 ' ' LEU . . . -58.81 -40.21 83.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.877 -0.601 . . . . 1.03 111.107 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.53 -38.92 94.32 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.725 -0.75 . . . . 0.42999999999999999 111.918 177.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -76.37 -32.81 58.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.698 0.285 . . . . 1.3100000000000001 111.021 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.543 HD12 HD12 ' A' 1882 ' ' LEU . 2.9 tm? -68.54 -35.95 78.14 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.591 -0.522 . . . . 1.1200000000000001 109.591 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -67.52 -26.07 66.15 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.773 -0.371 . . . . 1.46 110.984 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.9 m -76.72 -18.66 58.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.309 -0.405 . . . . 2.3599999999999999 110.765 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 47.3 m -150.46 69.49 8.78 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.721 -0.474 . . . . 1.0 109.721 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.402 ' HA ' HD13 ' A' 1937 ' ' LEU . 30.3 Cg_endo -64.28 -15.5 49.93 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.725 2.283 . . . . 0.72999999999999998 112.465 -173.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 35.7 t -90.23 -10.77 43.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.585 -0.734 . . . . 1.95 110.92 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 34.2 t70 -83.89 105.53 14.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.435 0.636 . . . . 1.1599999999999999 110.744 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 4.9 m -65.87 -30.09 48.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.018 -0.992 . . . . 1.96 112.257 -177.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.34 -49.44 73.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.535 0.207 . . . . 2.25 110.905 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 29.2 m -59.69 -43.14 94.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.951 0.405 . . . . 1.1200000000000001 110.407 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.613 ' HG3' ' HB3' ' A' 1875 ' ' SER . 38.9 ttpt -63.8 -41.85 97.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.575 . . . . 1.8500000000000001 110.702 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' 1952 ' ' GLU . 43.8 tttm -50.91 -53.09 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 3.1899999999999999 110.821 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.473 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 42.8 mt-10 -63.4 -34.92 78.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.73 -0.668 . . . . 1.53 111.129 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.4 ' HG ' HD22 ' A' 1930 ' ' LEU . 10.0 tt -69.34 -40.19 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.179 -0.304 . . . . 1.0900000000000001 110.179 178.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.413 HG21 HG21 ' A' 1872 ' ' VAL . 96.1 mt -55.95 -43.26 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.318 0.58 . . . . 1.1100000000000001 109.721 174.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' 1956 ' ' ARG . 40.8 mt-10 -67.74 -40.31 84.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 2.1099999999999999 110.755 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.527 ' O ' HG21 ' A' 1957 ' ' VAL . 72.9 m -59.28 -41.74 89.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.725 0.297 . . . . 1.6799999999999999 110.307 175.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.17 86.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 1.0800000000000001 110.77 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.603 ' O ' ' HG3' ' A' 1959 ' ' GLU . 96.5 mtt180 -59.98 -51.91 67.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.296 -0.411 . . . . 3.7200000000000002 110.129 175.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.553 ' O ' ' HG2' ' A' 1960 ' ' LYS . 94.5 mtt180 -59.63 -34.95 73.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.598 -0.728 . . . . 3.6299999999999999 111.842 -174.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.875 ' HB ' HG23 ' A' 1868 ' ' VAL . 54.1 t -70.72 -50.53 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.269 -0.271 . . . . 1.0600000000000001 110.269 177.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 17.7 m -57.31 -38.29 73.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 1.6599999999999999 111.361 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' 1955 ' ' ARG . 51.2 mt-10 -60.67 -31.81 71.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.268 0.556 . . . . 1.8600000000000001 110.766 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.631 ' O ' HG22 ' A' 1964 ' ' VAL . 30.2 mmtp -81.52 -38.04 26.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.246 -0.434 . . . . 1.4199999999999999 110.903 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.806 HG13 ' HB2' ' A' 1865 ' ' ALA . 37.3 t -54.69 -50.45 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.305 0.378 . . . . 1.0800000000000001 111.562 -176.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 15.6 m -59.36 -36.74 76.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.745 0.307 . . . . 1.54 110.944 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 36.6 m80 -70.35 -32.6 70.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.497 -0.32 . . . . 1.8899999999999999 111.055 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.691 HG21 ' HB3' ' A' 1919 ' ' ARG . 59.7 t -69.87 -45.88 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 1.1200000000000001 110.039 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' 1861 ' ' ALA . 70.0 mt -58.22 -47.03 84.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.57 -0.741 . . . . 1.0800000000000001 111.067 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -58.91 -37.21 76.12 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 1.1200000000000001 111.738 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -52.45 -55.62 20.64 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.951 -0.568 . . . . 1.0900000000000001 111.033 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.642 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -51.46 -35.99 42.18 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.482 0.919 . . . . 1.1000000000000001 113.482 -171.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.88 -21.34 57.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.694 0.283 . . . . 1.7 111.753 -176.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1970 ' ' ALA . . . . . 0.407 ' O ' HG23 ' A' 1912 ' ' ILE . . . . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.358 -0.383 . . . . 1.46 110.824 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 121.254 0.549 . . . . 1.28 109.797 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.96 -32.62 74.43 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.728 -0.669 . . . . 0.87 109.888 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 68.5 m -64.26 -37.26 86.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.807 -0.633 . . . . 1.3500000000000001 110.693 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.55 ' O ' HG13 ' A' 1835 ' ' ILE . 54.5 mt -70.39 -46.28 71.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.391 -0.368 . . . . 1.0900000000000001 110.132 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 25.5 m -58.99 -40.42 84.77 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.185 -0.461 . . . . 1.1399999999999999 110.47 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 25.7 tm0? -60.83 -47.42 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.83 -0.623 . . . . 3.02 110.003 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1834 ' ' ALA . . . . . . . . . . . . . . . -60.57 -32.71 71.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.69 -0.686 . . . . 1.0600000000000001 111.663 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1835 ' ' ILE . . . . . 0.751 ' HA ' ' NE2' ' A' 1921 ' ' GLN . 61.7 mt -65.49 -43.53 94.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.958 0.409 . . . . 1.1899999999999999 110.747 178.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -78.09 -43.58 28.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.33 0.493 . . . . 0.80000000000000004 112.33 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -54.52 -38.01 66.04 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.114 0.783 . . . . 1.0 113.114 -170.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.6 HD13 ' CD ' ' A' 1921 ' ' GLN . 86.5 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 1.25 111.802 -172.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 85.5 t80 . . . . . 0 N--CA 1.468 0.442 0 CA-C-O 120.337 0.113 . . . . 0.89000000000000001 111.042 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 9.9 p -58.0 -34.04 47.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.889 0.376 . . . . 1.3400000000000001 110.909 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.07 -50.48 73.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.974 -0.557 . . . . 1.71 110.763 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -73.47 -32.71 64.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.335 -0.393 . . . . 1.4299999999999999 110.693 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.6 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 56.9 tt0 -54.09 -53.26 55.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.081 -0.509 . . . . 1.21 111.226 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 11.5 t -68.34 -30.88 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.86 0.362 . . . . 2.1099999999999999 110.964 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 17.8 m -69.88 -41.79 74.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.061 0.458 . . . . 1.1899999999999999 110.716 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 73.3 mtp -68.59 -47.13 67.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 1.1000000000000001 111.489 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.65 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -59.69 -36.99 68.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.468 -0.493 . . . . 1.0700000000000001 110.968 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' 1859 ' ' ARG . 48.1 mtm105 -65.35 -45.99 81.95 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.713 0.292 . . . . 3.6299999999999999 110.767 178.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.64 ' HB ' HD21 ' A' 1896 ' ' LEU . 10.0 m -69.83 -33.63 72.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 1.1100000000000001 110.947 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.541 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.92 -45.79 90.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 1.0900000000000001 110.415 176.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.65 ' HG3' ' O ' ' A' 1858 ' ' VAL . 58.0 mttm -61.37 -32.99 72.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 1.8799999999999999 110.46 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.16 -36.47 84.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 1.1499999999999999 111.398 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.679 HD13 HG22 ' A' 1961 ' ' VAL . 1.4 pp -79.76 -27.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.469 -0.493 . . . . 1.0800000000000001 109.928 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.814 ' HB1' HG13 ' A' 1961 ' ' VAL . . . -70.11 -40.78 74.71 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 116.115 -0.493 . . . . 0.98999999999999999 111.286 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.401 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.9 p -67.73 -28.5 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.989 0.423 . . . . 1.45 110.009 176.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.588 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.9 m -69.79 -52.42 25.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 1.0600000000000001 110.807 175.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.615 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.5 p -63.72 -36.45 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.609 0.243 . . . . 1.05 110.951 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -67.96 -26.21 65.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.144 0.497 . . . . 0.91000000000000003 109.877 177.236 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' 1869 ' ' GLN . 8.1 tp10 -76.98 -38.48 53.09 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.564 -0.532 . . . . 0.56999999999999995 109.564 176.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' 1867 ' ' THR . 82.1 mtp -62.16 -43.04 99.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 1.25 110.95 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 13.9 p -63.24 -39.08 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 1.27 110.455 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 26.1 m -71.37 -48.97 46.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.743 -0.662 . . . . 1.1499999999999999 110.999 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.829 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 7.4 mmpt? -65.75 -29.08 69.54 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.233 -0.439 . . . . 1.97 111.699 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 27.8 t -61.54 -24.65 66.77 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.637 -0.425 . . . . 1.74 110.78 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -78.24 -38.95 41.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.76000000000000001 111.429 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 17.1 p -108.19 -40.11 5.28 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.107 0.78 . . . . 1.71 113.107 -172.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 64.4 m -138.84 85.57 16.38 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.373 -0.376 . . . . 1.4299999999999999 111.291 -170.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.87 -20.82 72.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.44 2.093 . . . . 1.02 112.064 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.84 -20.29 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 2.2400000000000002 111.229 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' 1885 ' ' LEU . 16.4 mm-40 -80.87 -15.5 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.561 -0.29 . . . . 1.8899999999999999 111.4 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' A' 1934 ' ' ALA . 85.7 mt -65.31 -38.11 89.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.456 -0.338 . . . . 1.1399999999999999 111.747 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.69 -54.72 31.69 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.855 -0.688 . . . . 0.42999999999999999 113.018 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.08 -40.13 87.42 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.703 2.269 . . . . 1.0 112.836 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.8 mt -72.64 -40.23 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.698 -0.228 . . . . 1.0700000000000001 110.913 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.79 70.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.215 0.531 . . . . 1.1000000000000001 110.177 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -69.72 -40.06 76.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 1.4299999999999999 110.616 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -71.04 -41.76 70.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.612 -0.722 . . . . 1.0700000000000001 110.795 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.63 -39.42 80.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 1.05 109.732 175.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 51.6 m -65.75 -50.01 66.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.365 -0.834 . . . . 1.0800000000000001 111.609 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 76.2 p -66.45 -49.6 66.16 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.82 0.343 . . . . 1.72 110.944 -173.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.524 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.1 m-20 -60.02 -37.91 81.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.825 -0.625 . . . . 0.80000000000000004 111.351 177.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1893 ' ' TYR . . . . . 0.641 ' HH ' ' CA ' ' A' 1924 ' ' GLY . 74.8 t80 -61.62 -47.57 84.85 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.033 -0.267 . . . . 1.05 110.697 177.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.46 -38.76 81.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.859 -0.686 . . . . 0.34000000000000002 111.898 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' 1899 ' ' GLN . 76.9 mtp180 -66.83 -50.15 63.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.02 0.438 . . . . 3.48 110.409 177.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.64 HD21 ' HB ' ' A' 1860 ' ' THR . 1.7 tm? -60.77 -38.61 85.85 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.558 -0.746 . . . . 1.45 110.707 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -66.4 -32.7 74.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 1.1499999999999999 111.286 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 51.9 m -67.52 -34.87 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 1.8899999999999999 110.792 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' 1895 ' ' ARG . 66.8 mt-30 -72.83 -24.84 60.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 1.5600000000000001 111.092 -175.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.51 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 1.0700000000000001 112.031 -176.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.434 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 55.5 mtmt -66.51 -59.11 8.75 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.622 -0.263 . . . . 2.8500000000000001 111.707 -177.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.434 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 35.5 Cg_endo -66.37 -29.58 45.66 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.657 1.571 . . . . 0.87 112.204 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.73 -45.94 87.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.88 0.371 . . . . 1.0700000000000001 110.574 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.87 -38.45 82.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.701 -0.681 . . . . 1.0800000000000001 111.476 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 43.8 t -75.73 -36.42 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.941 -0.572 . . . . 1.9199999999999999 111.137 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -72.3 -17.43 61.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 1.1699999999999999 112.019 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.83 166.63 15.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 1.23 110.976 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -39.06 13.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.462 -0.336 . . . . 2.6699999999999999 111.269 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.429 ' HB3' HG12 ' A' 1912 ' ' ILE . 10.9 t30 -110.12 132.84 53.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.149 -0.315 . . . . 2.4900000000000002 110.149 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.93 -41.52 87.52 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.275 -0.421 . . . . 2.2400000000000002 112.018 -174.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.41 -22.47 66.2 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.634 0.254 . . . . 2.4900000000000002 111.158 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.429 HG12 ' HB3' ' A' 1909 ' ' ASN . 37.9 mm -73.65 -47.79 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.451 -0.574 . . . . 1.3899999999999999 109.451 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -63.4 -39.96 98.34 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.782 -0.723 . . . . 0.57999999999999996 111.646 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.5 87.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.037 0.446 . . . . 1.22 110.357 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.8 t-160 -64.44 -43.23 94.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.874 -0.603 . . . . 2.1800000000000002 110.175 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 83.7 mt -57.91 -55.08 23.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 1.1299999999999999 111.169 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' 1921 ' ' GLN . 20.0 ptpt -65.36 -39.4 92.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 1.8100000000000001 111.405 -175.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 62.4 m170 -71.82 -29.49 64.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.887 0.329 . . . . 2.52 111.887 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.604 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 2.4 mmp_? -70.09 -31.62 69.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.715 -0.394 . . . . 3.1499999999999999 110.601 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 80.8 t -64.75 -32.92 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.241 0.543 . . . . 1.1200000000000001 110.345 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.751 ' NE2' ' HA ' ' A' 1835 ' ' ILE . 4.5 mm100 -70.57 -22.28 62.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.744 -0.662 . . . . 1.22 111.19 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.672 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 17.5 mm-40 -55.63 -37.72 68.56 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.135 -0.691 . . . . 1.49 109.135 169.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.702 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.9 mt -77.98 -34.96 50.64 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.839 -0.619 . . . . 1.3700000000000001 109.531 174.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1924 ' ' GLY . . . . . 0.641 ' CA ' ' HH ' ' A' 1893 ' ' TYR . . . -51.24 -34.47 32.85 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.498 -0.858 . . . . 0.64000000000000001 112.078 174.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -85.18 -55.2 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.678 -0.307 . . . . 0.85999999999999999 110.521 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -65.07 -49.62 61.41 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.26 -0.495 . . . . 0.28000000000000003 113.698 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.702 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 89.5 m -64.49 -39.31 93.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.855 0.327 . . . . 1.6599999999999999 110.806 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1928 ' ' SER . . . . . 0.5 ' HB2' HG22 ' A' 1831 ' ' ILE . 7.8 t -60.7 -43.63 97.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.22 0.533 . . . . 1.5 109.79 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.61 -43.25 80.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.509 -0.768 . . . . 1.01 110.743 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.561 HD12 HG23 ' A' 1868 ' ' VAL . 0.3 OUTLIER -58.58 -52.95 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 1.0700000000000001 110.857 -178.523 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 18.4 m -64.38 -33.87 65.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 1.0800000000000001 110.936 -177.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.3 m -68.99 -44.43 72.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.04 -0.527 . . . . 1.4099999999999999 110.254 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.615 ' HE3' HG23 ' A' 1946 ' ' THR . 41.1 tptt -65.59 -39.84 92.04 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.816 -0.629 . . . . 1.6799999999999999 110.654 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1934 ' ' ALA . . . . . 0.658 ' HB2' ' HB3' ' A' 1882 ' ' LEU . . . -60.9 -43.41 98.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 1.03 110.987 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -61.35 -43.28 99.56 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.625 -0.798 . . . . 0.42999999999999999 111.82 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.52 63.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.361 . . . . 1.3100000000000001 111.013 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.596 HD13 HD12 ' A' 1882 ' ' LEU . 3.2 tm? -74.19 -40.57 62.41 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 109.715 -0.476 . . . . 1.1200000000000001 109.715 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.404 ' O ' ' HD3' ' A' 1941 ' ' PRO . 22.3 mt-30 -65.02 -25.87 68.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.823 0.344 . . . . 1.46 111.147 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.7 m -70.11 -27.97 65.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.17 -0.468 . . . . 2.3599999999999999 110.539 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 67.7 m -144.53 69.62 15.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1941 ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' 1938 ' ' GLN . 49.6 Cg_endo -68.38 -4.08 12.18 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.939 2.426 . . . . 0.72999999999999998 112.675 -173.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 42.6 t -93.38 -13.37 28.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.885 -0.598 . . . . 1.95 110.399 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.81 115.2 21.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.128 0.49 . . . . 1.1599999999999999 110.574 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 45.0 t -75.79 -29.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.837 -0.619 . . . . 1.96 110.87 -176.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.524 ' O ' ' HG3' ' A' 1949 ' ' GLU . 38.3 t80 -60.63 -52.77 63.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 2.25 110.28 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.615 HG23 ' HE3' ' A' 1933 ' ' LYS . 32.8 m -60.27 -40.29 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 1.1200000000000001 110.849 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -62.72 -46.26 88.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 1.8500000000000001 110.677 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -58.1 -44.23 87.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 3.1899999999999999 110.409 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' 1945 ' ' TYR . 44.0 mt-10 -59.73 -37.85 80.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.716 -0.674 . . . . 1.53 111.153 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.58 -40.66 69.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.625 -0.262 . . . . 1.0900000000000001 110.942 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1951 ' ' ILE . . . . . . . . . . . . . 80.5 mt -55.41 -45.12 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 1.1100000000000001 111.055 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' 1956 ' ' ARG . 8.6 pt-20 -72.88 -36.1 67.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.637 -0.256 . . . . 2.1099999999999999 110.916 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.5 ' O ' HG21 ' A' 1957 ' ' VAL . 87.4 m -60.25 -42.76 95.98 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.619 0.247 . . . . 1.6799999999999999 110.51 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.94 95.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 1.0800000000000001 110.966 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' 1959 ' ' GLU . 78.1 mtt180 -60.39 -46.13 91.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 3.7200000000000002 110.425 176.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' 1952 ' ' GLU . 50.7 mtp180 -59.77 -44.56 93.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.694 -0.685 . . . . 3.6299999999999999 111.37 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.615 ' HB ' HG21 ' A' 1868 ' ' VAL . 85.7 t -62.38 -44.05 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 1.0600000000000001 110.766 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 37.9 m -57.4 -35.78 70.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 1.6599999999999999 111.212 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.8 mt-10 -70.5 -31.26 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.312 0.577 . . . . 1.8600000000000001 110.683 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.672 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.2 mmtt -71.33 -37.66 71.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.01 -0.541 . . . . 1.4199999999999999 110.676 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.814 HG13 ' HB1' ' A' 1865 ' ' ALA . 21.7 t -55.99 -42.23 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 O-C-N 123.411 0.445 . . . . 1.0800000000000001 110.854 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 12.1 m -57.95 -37.61 74.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 1.54 110.965 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 76.1 m80 -77.25 -30.71 54.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.563 . . . . 1.8899999999999999 110.782 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' 1960 ' ' LYS . 60.9 t -66.24 -49.02 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.115 0.483 . . . . 1.1200000000000001 109.794 175.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 61.3 mt -57.68 -48.82 78.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.457 -0.792 . . . . 1.0800000000000001 110.765 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.2 68.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.876 -0.602 . . . . 1.1200000000000001 111.704 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1967 ' ' ALA . . . . . 0.527 ' HB1' ' HG3' ' A' 1919 ' ' ARG . . . -62.54 -30.82 71.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.474 -0.33 . . . . 1.0900000000000001 111.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.6 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -70.4 -51.14 31.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 1.1000000000000001 110.749 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -72.04 -16.85 62.05 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.968 -0.293 . . . . 1.7 110.836 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.091 -0.504 . . . . 1.46 110.719 177.315 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.281 0.562 . . . . 1.28 110.099 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.31 -44.56 96.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.568 -0.742 . . . . 0.87 110.376 175.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 16.0 t -61.57 -45.61 93.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.953 -0.567 . . . . 1.3500000000000001 110.337 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.406 ' O ' HG13 ' A' 1835 ' ' ILE . 59.6 mt -59.78 -44.01 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.861 -0.609 . . . . 1.0900000000000001 110.492 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1832 ' ' THR . . . . . 0.419 ' O ' ' HB ' ' A' 1835 ' ' ILE . 29.2 m -67.34 -41.99 84.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.93 -0.577 . . . . 1.1399999999999999 111.109 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -62.67 -38.44 90.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.229 0.537 . . . . 3.02 110.478 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -63.19 -27.91 69.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 1.0600000000000001 111.16 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1835 ' ' ILE . . . . . 0.444 ' HA ' HE22 ' A' 1921 ' ' GLN . 75.4 mt -64.2 -43.13 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.498 . . . . 1.1899999999999999 110.381 175.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1836 ' ' ASN . . . . . 0.432 ' N ' HD21 ' A' 1836 ' ' ASN . 0.9 OUTLIER -64.92 -41.95 95.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.629 -0.714 . . . . 0.80000000000000004 111.754 -173.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1837 ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' 1834 ' ' ALA . 29.2 pt20 -66.22 -34.88 79.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.873 -173.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 97.3 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.342 . . . . 1.25 111.569 -173.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.498 ' HE1' HD13 ' A' 1916 ' ' ILE . 87.8 t80 . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.554 0.216 . . . . 0.89000000000000001 111.088 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.0 p -56.29 -38.45 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.261 -0.427 . . . . 1.3400000000000001 111.675 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.18 -50.5 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.684 0.278 . . . . 1.71 110.485 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.49 -36.89 83.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.244 -0.434 . . . . 1.4299999999999999 110.296 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.676 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 33.4 tt0 -57.74 -53.61 56.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.887 -0.597 . . . . 1.21 110.444 175.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 32.6 m -62.08 -31.3 71.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.746 -0.661 . . . . 2.1099999999999999 111.343 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 20.2 m -78.19 -44.31 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.961 -0.296 . . . . 1.1899999999999999 111.006 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 71.9 mtp -63.98 -44.29 93.15 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.16 0.43 . . . . 1.1000000000000001 112.16 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.8 m -60.73 -36.03 68.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.716 -0.394 . . . . 1.0700000000000001 110.954 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -67.0 -41.2 87.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.753 0.311 . . . . 3.6299999999999999 110.828 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.507 ' HB ' HD23 ' A' 1896 ' ' LEU . 4.0 m -72.87 -36.56 67.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.289 -0.414 . . . . 1.1100000000000001 110.981 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.48 -50.38 69.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 1.0900000000000001 110.795 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' 1858 ' ' VAL . 54.0 mtmt -61.89 -24.68 67.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.054 0.454 . . . . 1.8799999999999999 110.903 175.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1863 ' ' ALA . . . . . 0.417 ' O ' HG11 ' A' 1866 ' ' VAL . . . -72.69 -37.98 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 1.1499999999999999 111.29 177.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.639 HD12 HG22 ' A' 1961 ' ' VAL . 1.4 pp -79.43 -24.27 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.597 -0.441 . . . . 1.0800000000000001 110.26 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.818 ' HB3' HG12 ' A' 1961 ' ' VAL . . . -69.01 -32.65 72.35 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.035 -0.53 . . . . 0.98999999999999999 111.659 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.417 HG11 ' O ' ' A' 1863 ' ' ALA . 14.8 p -74.55 -26.9 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.482 -0.487 . . . . 1.45 109.938 176.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.591 ' O ' ' HG3' ' A' 1871 ' ' MET . 46.6 m -68.8 -53.39 21.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 1.0600000000000001 110.612 176.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.837 HG22 ' HB ' ' A' 1957 ' ' VAL . 2.3 p -61.08 -40.51 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.674 0.273 . . . . 1.05 111.286 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -66.04 -25.96 67.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.213 0.53 . . . . 0.91000000000000003 110.109 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' 1869 ' ' GLN . 9.2 tp10 -77.55 -40.51 42.24 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.105 -0.498 . . . . 0.56999999999999995 109.974 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.591 ' HG3' ' O ' ' A' 1867 ' ' THR . 84.9 mtp -60.81 -38.33 85.05 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.352 -0.385 . . . . 1.25 111.738 -174.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.444 HG22 HG21 ' A' 1951 ' ' ILE . 7.7 p -63.3 -38.32 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.394 0.616 . . . . 1.27 110.843 178.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 54.7 m -78.96 -37.48 39.44 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.483 -0.781 . . . . 1.1499999999999999 110.912 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.845 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 9.0 mmpt? -70.81 -38.03 73.27 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 116.073 -0.512 . . . . 1.97 112.205 -176.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 10.1 p -61.4 -26.94 68.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.174 0.511 . . . . 1.74 110.713 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1876 ' ' ASN . . . . . 0.41 HD22 HD13 ' A' 1951 ' ' ILE . 28.0 m-80 -81.48 -25.78 35.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.594 -0.73 . . . . 0.76000000000000001 111.779 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 4.5 p -108.61 -50.41 3.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.215 0.45 . . . . 1.71 112.215 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 4.7 t -141.86 91.87 8.04 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.228 -0.656 . . . . 1.4299999999999999 109.228 -173.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -60.94 -26.05 82.5 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.829 2.352 . . . . 1.02 113.176 -175.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.57 -8.52 59.62 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.78 -0.368 . . . . 2.2400000000000002 111.199 -178.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' 1885 ' ' LEU . 28.6 mt-10 -80.83 -9.69 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 1.8899999999999999 110.557 174.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' A' 1934 ' ' ALA . 96.5 mt -69.43 -34.54 74.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 1.1399999999999999 111.418 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1883 ' ' GLY . . . . . 0.424 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -59.0 -55.61 29.92 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 121.019 -0.61 . . . . 0.42999999999999999 113.484 -178.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' 1883 ' ' GLY . 11.1 Cg_endo -57.68 -32.23 94.06 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.444 2.096 . . . . 1.0 112.574 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.652 HD11 ' HG3' ' A' 1874 ' ' LYS . 80.2 mt -76.04 -44.55 38.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.415 -0.357 . . . . 1.0700000000000001 110.788 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1886 ' ' ALA . . . . . 0.488 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -56.48 -34.18 66.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.273 0.559 . . . . 1.1000000000000001 109.795 174.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -70.37 -45.25 66.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.476 -0.784 . . . . 1.4299999999999999 110.864 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -71.83 -36.29 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 1.0700000000000001 110.759 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.53 -32.97 74.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.575 -0.528 . . . . 1.05 109.575 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 39.3 m -71.85 -51.28 23.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.533 -0.758 . . . . 1.0800000000000001 111.352 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 20.2 p -63.96 -51.29 65.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 1.72 111.659 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.469 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.1 m-20 -64.42 -31.21 72.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.822 -0.626 . . . . 0.80000000000000004 111.744 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1893 ' ' TYR . . . . . 0.437 ' HE2' ' HB3' ' A' 1834 ' ' ALA . 72.0 t80 -62.94 -41.43 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.825 -0.35 . . . . 1.05 110.305 175.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.04 63.69 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.014 -0.612 . . . . 0.34000000000000002 112.082 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.88 -53.02 36.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.669 -0.493 . . . . 3.48 109.669 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.507 HD23 ' HB ' ' A' 1860 ' ' THR . 19.4 mt -60.39 -41.19 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 1.45 111.444 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1897 ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -61.39 -27.58 68.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 1.1499999999999999 111.302 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 37.7 m -84.74 -40.22 17.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.355 -0.384 . . . . 1.8899999999999999 110.499 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.517 ' O ' ' HD2' ' A' 1902 ' ' PRO . 23.5 mt-30 -73.71 -27.38 61.17 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.849 -0.614 . . . . 1.5600000000000001 112.134 -175.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.52 -25.63 68.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.861 0.363 . . . . 1.0700000000000001 111.634 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.652 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 59.6 mtmt -70.03 -55.03 8.91 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.336 -0.393 . . . . 2.8500000000000001 111.844 -178.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.652 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 24.0 Cg_exo -64.05 -29.91 66.0 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.967 1.778 . . . . 0.87 112.042 175.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.83 96.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 1.0700000000000001 110.65 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.65 98.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.601 . . . . 1.0800000000000001 111.472 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 9.4 p -75.69 -26.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.868 0.365 . . . . 1.9199999999999999 111.145 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -77.5 -18.23 57.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 1.1699999999999999 110.98 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.5 143.89 51.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.025 -0.534 . . . . 1.23 110.181 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.52 -3.75 58.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.859 0.361 . . . . 2.6699999999999999 111.228 -176.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.419 ' HB3' HG12 ' A' 1912 ' ' ILE . 7.2 t30 -135.78 131.62 35.72 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.922 -0.399 . . . . 2.4900000000000002 109.922 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.99 -45.54 94.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.34 -0.391 . . . . 2.2400000000000002 111.379 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1911 ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' 1915 ' ' HIS . 2.5 mp0 -58.69 -21.18 53.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.539 -0.301 . . . . 2.4900000000000002 111.237 -178.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.443 ' O ' HG13 ' A' 1916 ' ' ILE . 43.1 mm -77.11 -48.58 24.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.763 -0.458 . . . . 1.3899999999999999 109.763 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.56 -41.01 99.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.778 -0.725 . . . . 0.57999999999999996 111.467 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.84 91.04 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.331 0.586 . . . . 1.22 110.457 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.572 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.4 t-160 -63.97 -46.48 84.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.424 -0.807 . . . . 2.1800000000000002 110.279 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.498 HD13 ' HE1' ' A' 1850 ' ' PHE . 89.0 mt -58.55 -54.62 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 1.1299999999999999 111.119 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.66 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.8 ptpt -61.14 -37.98 84.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 1.8100000000000001 110.751 -177.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1918 ' ' HIS . . . . . 0.58 ' HD2' ' HG3' ' A' 1917 ' ' LYS . 4.4 m-70 -75.46 -25.05 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.268 0.469 . . . . 2.52 112.268 -177.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.661 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 0.5 OUTLIER -74.75 -31.12 61.71 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.278 -0.569 . . . . 3.1499999999999999 110.48 175.155 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 32.4 t -73.14 -23.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.62 -0.511 . . . . 1.1200000000000001 109.62 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.66 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.1 mm-40 -64.21 -36.89 85.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.344 0.592 . . . . 1.22 109.526 172.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' 1919 ' ' ARG . 7.7 mm-40 -59.1 -49.08 79.23 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.187 -0.915 . . . . 1.49 109.592 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.03 -41.58 96.84 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.206 -0.906 . . . . 1.3700000000000001 110.537 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -52.54 -53.15 33.63 Favored Glycine 0 C--O 1.223 -0.574 0 C-N-CA 121.184 -0.531 . . . . 0.64000000000000001 112.703 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -75.11 -37.17 61.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.129 0.464 . . . . 0.85999999999999999 111.027 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.06 -54.13 19.06 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.933 -0.651 . . . . 0.28000000000000003 112.438 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.446 ' O ' HG21 ' A' 1931 ' ' VAL . 72.0 m -61.36 -40.4 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.375 -0.231 . . . . 1.6599999999999999 110.375 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 9.5 m -53.91 -52.01 61.92 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.872 0.368 . . . . 1.5 110.934 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.98 -44.22 97.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.905 -0.589 . . . . 1.01 111.043 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.536 HD12 HG21 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.46 -53.1 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 1.0700000000000001 111.044 -177.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1931 ' ' VAL . . . . . 0.488 HG12 ' HA ' ' A' 1886 ' ' ALA . 33.3 m -66.05 -31.25 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.851 0.358 . . . . 1.0800000000000001 111.0 -177.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 98.8 m -70.0 -44.01 70.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.158 0.504 . . . . 1.4099999999999999 110.442 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 40.4 tptt -65.03 -40.68 95.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.776 -0.647 . . . . 1.6799999999999999 110.194 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1934 ' ' ALA . . . . . 0.474 ' HB3' ' HB3' ' A' 1882 ' ' LEU . . . -59.7 -41.07 89.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 1.03 111.346 176.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.81 98.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.866 -0.683 . . . . 0.42999999999999999 111.934 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.15 -33.69 63.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.644 0.259 . . . . 1.3100000000000001 110.917 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.08 -40.29 86.97 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.768 -0.456 . . . . 1.1200000000000001 109.768 -178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.09 -25.67 68.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.758 0.313 . . . . 1.46 111.334 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 79.4 m -77.19 -15.15 59.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.356 . . . . 2.3599999999999999 111.163 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 56.3 m -153.89 66.66 5.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.04 -14.98 48.25 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.195 2.597 . . . . 0.72999999999999998 113.191 -170.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 49.0 m -87.84 -13.79 41.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.02 -0.536 . . . . 1.95 112.028 -174.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.92 117.99 20.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.123 0.487 . . . . 1.1599999999999999 110.421 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 26.0 t -71.95 -34.52 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.692 -0.685 . . . . 1.96 111.32 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 65.4 t80 -63.27 -49.94 72.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.518 -0.31 . . . . 2.25 110.99 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 20.2 m -59.89 -41.86 92.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.065 0.46 . . . . 1.1200000000000001 110.609 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.408 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 36.7 ttpt -65.68 -42.9 90.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.697 -0.683 . . . . 1.8500000000000001 110.539 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.541 ' HB2' ' HZ2' ' A' 1948 ' ' LYS . 4.0 ttmp? -58.59 -41.16 85.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 3.1899999999999999 110.792 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.444 ' HA ' ' OE1' ' A' 1952 ' ' GLU . 29.4 mt-10 -67.89 -34.48 76.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.42 -0.354 . . . . 1.53 111.158 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -65.9 -37.87 87.24 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.726 -0.472 . . . . 1.0900000000000001 109.726 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.5 ' O ' ' HG2' ' A' 1955 ' ' ARG . 86.2 mt -55.45 -45.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.996 -0.547 . . . . 1.1100000000000001 109.891 174.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' 1948 ' ' LYS . 35.9 mt-10 -65.05 -40.63 95.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 2.1099999999999999 110.622 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 73.1 m -59.98 -41.14 91.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.906 0.384 . . . . 1.6799999999999999 110.534 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.33 92.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.944 -0.571 . . . . 1.0800000000000001 111.116 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' 1951 ' ' ILE . 28.7 mmt180 -59.31 -44.35 92.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.015 0.436 . . . . 3.7200000000000002 109.929 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' A' 1960 ' ' LYS . 2.5 mmp_? -56.84 -50.88 71.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.418 -0.81 . . . . 3.6299999999999999 110.785 -178.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.837 ' HB ' HG22 ' A' 1868 ' ' VAL . 39.8 t -61.32 -47.47 93.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.851 -0.613 . . . . 1.0600000000000001 110.705 -178.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 34.4 t -56.18 -41.8 76.08 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.306 -0.406 . . . . 1.6599999999999999 110.726 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' 1955 ' ' ARG . 44.5 mt-10 -62.56 -41.91 99.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.216 0.532 . . . . 1.8600000000000001 110.877 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.575 ' O ' HG22 ' A' 1964 ' ' VAL . 29.9 mmtp -73.86 -32.42 63.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 1.4199999999999999 111.746 -173.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.818 HG12 ' HB3' ' A' 1865 ' ' ALA . 59.0 t -56.35 -46.88 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.9 0.381 . . . . 1.0800000000000001 110.523 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 15.6 m -62.64 -31.6 72.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.064 -0.516 . . . . 1.54 110.727 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 38.9 m170 -72.02 -37.13 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 1.8899999999999999 110.168 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.599 HG21 ' HB3' ' A' 1919 ' ' ARG . 48.6 t -66.52 -46.62 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 1.1200000000000001 110.0 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 69.1 mt -55.99 -46.51 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 1.0800000000000001 110.665 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.84 73.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 1.1200000000000001 111.329 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.3 -28.61 69.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 1.0900000000000001 110.864 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.676 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -71.93 -50.93 24.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 1.1000000000000001 111.444 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -68.61 -26.4 65.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.589 -0.444 . . . . 1.7 110.57 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 1.46 110.988 -179.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 120.95 0.405 . . . . 1.28 110.555 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.98 -34.54 65.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.869 -0.605 . . . . 0.87 111.063 175.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 41.1 m -65.71 -23.88 66.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.917 -0.583 . . . . 1.3500000000000001 111.688 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.461 HG13 HG23 ' A' 1890 ' ' THR . 67.4 mt -72.55 -51.32 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.059 0.457 . . . . 1.0900000000000001 109.952 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 7.0 m -66.01 -37.69 86.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.843 -0.617 . . . . 1.1399999999999999 110.692 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -61.34 -39.21 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.331 -0.395 . . . . 3.02 110.581 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.508 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -60.69 -35.31 75.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 1.0600000000000001 111.001 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1835 ' ' ILE . . . . . 0.655 ' HA ' HE22 ' A' 1921 ' ' GLN . 50.6 mt -63.61 -46.13 95.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.277 -0.42 . . . . 1.1899999999999999 110.018 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -65.66 -46.84 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.654 -0.703 . . . . 0.80000000000000004 111.755 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1837 ' ' GLN . . . . . 0.508 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 13.6 pt20 -63.33 -38.53 91.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.782 0.325 . . . . 1.0 111.361 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.474 HD22 ' HG2' ' A' 1901 ' ' LYS . 30.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.522 -0.308 . . . . 1.25 110.666 177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.531 ' HE1' HD11 ' A' 1916 ' ' ILE . 66.9 t80 . . . . . 0 C--O 1.225 -0.186 0 CA-C-O 120.507 0.194 . . . . 0.89000000000000001 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -56.15 -37.04 47.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.257 -0.428 . . . . 1.3400000000000001 111.909 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.88 -48.49 30.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 1.71 110.365 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -63.14 -34.36 77.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 1.4299999999999999 110.559 177.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.667 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 30.9 tt0 -56.68 -57.1 13.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 1.21 110.251 174.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 12.0 m -61.8 -35.31 77.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.659 -0.701 . . . . 2.1099999999999999 110.751 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 27.8 m -65.78 -44.5 85.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.081 0.467 . . . . 1.1899999999999999 110.596 177.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1857 ' ' MET . . . . . 0.474 ' SD ' ' HB2' ' A' 1899 ' ' GLN . 67.7 mmm -68.01 -45.38 74.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 1.1000000000000001 111.773 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.664 ' O ' ' HG3' ' A' 1862 ' ' LYS . 25.8 m -63.66 -34.39 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.699 -0.4 . . . . 1.0700000000000001 111.538 -175.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -65.4 -38.65 90.59 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.939 0.399 . . . . 3.6299999999999999 110.79 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.571 ' HB ' HD23 ' A' 1896 ' ' LEU . 20.4 m -75.72 -36.03 60.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.545 . . . . 1.1100000000000001 110.448 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.83 -45.68 91.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 1.0900000000000001 111.199 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.664 ' HG3' ' O ' ' A' 1858 ' ' VAL . 86.5 mttt -59.45 -35.8 74.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 1.8799999999999999 110.318 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.97 83.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.545 -0.752 . . . . 1.1499999999999999 111.458 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.735 HD11 HG21 ' A' 1961 ' ' VAL . 1.4 pp -74.92 -25.88 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.201 -0.599 . . . . 1.0800000000000001 109.879 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.79 ' HB1' HG13 ' A' 1961 ' ' VAL . . . -71.17 -39.04 72.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.099 -0.501 . . . . 0.98999999999999999 111.311 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.49 ' O ' ' HG3' ' A' 1869 ' ' GLN . 14.9 p -73.28 -23.62 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.233 0.54 . . . . 1.45 109.873 175.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.57 ' O ' ' HG3' ' A' 1871 ' ' MET . 75.1 m -69.65 -52.58 24.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 1.0600000000000001 110.362 174.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.803 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.1 p -61.28 -38.75 80.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 121.182 -0.207 . . . . 1.05 110.971 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.27 -29.04 69.19 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.568 -0.453 . . . . 0.91000000000000003 109.922 178.715 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -75.59 -33.15 60.55 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 109.573 -0.529 . . . . 0.56999999999999995 109.573 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' 1867 ' ' THR . 80.3 mtp -66.11 -45.11 82.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.402 -0.363 . . . . 1.25 110.798 -178.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.423 ' HB ' ' CB ' ' A' 1954 ' ' ALA . 3.1 p -63.23 -42.14 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.554 0.693 . . . . 1.27 110.489 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.6 m -65.24 -46.81 79.08 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.982 -1.008 . . . . 1.1499999999999999 111.303 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.651 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 8.1 mmpt? -74.74 -28.98 61.0 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 116.321 -0.4 . . . . 1.97 111.77 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.469 ' HA ' HD11 ' A' 1882 ' ' LEU . 26.7 t -59.76 -28.12 67.12 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.852 -0.53 . . . . 1.74 110.658 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -81.93 -33.31 30.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.831 -0.622 . . . . 0.76000000000000001 111.755 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 10.9 p -108.36 -36.49 6.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.057 0.762 . . . . 1.71 113.057 -170.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1878 ' ' SER . . . . . 0.418 ' HB3' ' HG3' ' A' 1881 ' ' GLU . 73.2 m -148.48 88.7 5.27 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.264 -0.425 . . . . 1.4299999999999999 110.743 -170.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -69.73 -22.57 32.04 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.709 2.273 . . . . 1.02 112.624 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.99 -21.04 51.47 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.474 -0.49 . . . . 2.2400000000000002 110.21 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' 1885 ' ' LEU . 33.7 mt-10 -79.22 -10.02 59.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 1.8899999999999999 110.507 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.469 HD11 ' HA ' ' A' 1875 ' ' SER . 94.8 mt -68.52 -25.81 65.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.09 -0.505 . . . . 1.1399999999999999 111.055 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1883 ' ' GLY . . . . . 0.411 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.4 -56.03 24.13 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.925 -0.655 . . . . 0.42999999999999999 113.67 -176.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' 1883 ' ' GLY . 17.8 Cg_endo -62.18 -30.81 82.47 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.239 1.959 . . . . 1.0 112.243 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.9 mt -71.14 -38.56 72.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.551 -0.295 . . . . 1.0700000000000001 110.447 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1886 ' ' ALA . . . . . 0.564 ' HA ' HG13 ' A' 1931 ' ' VAL . . . -58.89 -35.07 72.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.444 0.64 . . . . 1.1000000000000001 109.696 175.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 11.1 m120 -74.55 -45.83 42.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.159 -0.928 . . . . 1.4299999999999999 111.6 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -67.84 -40.31 83.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.863 0.32 . . . . 1.0700000000000001 111.863 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.93 -32.99 74.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.146 0.498 . . . . 1.05 109.914 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1890 ' ' THR . . . . . 0.461 HG23 HG13 ' A' 1831 ' ' ILE . 53.4 m -70.02 -47.49 61.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.469 -0.787 . . . . 1.0800000000000001 111.59 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 49.4 p -70.28 -47.07 62.85 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.197 0.522 . . . . 1.72 111.571 -172.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.57 -25.76 65.06 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.637 -0.711 . . . . 0.80000000000000004 111.853 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -62.93 -43.71 98.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 1.05 110.374 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.31 -25.26 60.07 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.22 -0.514 . . . . 0.34000000000000002 112.52 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' 1899 ' ' GLN . 58.8 mtp180 -68.94 -48.77 62.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.645 -0.502 . . . . 3.48 109.645 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.571 HD23 ' HB ' ' A' 1860 ' ' THR . 49.4 mt -59.59 -42.83 93.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 1.45 110.465 176.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1897 ' ' ALA . . . . . 0.471 ' HA ' HG13 ' A' 1920 ' ' VAL . . . -62.01 -34.63 76.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.514 . . . . 1.1499999999999999 111.436 -179.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.6 t -75.43 -46.09 34.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.377 -0.374 . . . . 1.8899999999999999 110.445 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.474 ' HB2' ' SD ' ' A' 1857 ' ' MET . 13.9 mt-30 -71.54 -25.73 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 1.5600000000000001 111.561 -175.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.24 -27.57 69.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 1.0700000000000001 111.994 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.793 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 30.6 mtmm -66.41 -57.16 13.17 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.64 -0.255 . . . . 2.8500000000000001 111.275 -176.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.793 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 17.3 Cg_exo -67.78 -29.99 34.58 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.977 1.784 . . . . 0.87 111.893 176.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.36 93.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.289 -0.414 . . . . 1.0700000000000001 110.686 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -64.39 -35.91 82.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 1.0800000000000001 111.194 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 41.8 t -75.16 -41.01 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 1.9199999999999999 110.711 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1906 ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -79.41 -8.0 58.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.048 -0.523 . . . . 1.1699999999999999 111.277 -178.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -63.21 138.91 58.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 1.23 111.216 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.09 -47.09 75.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.821 -0.627 . . . . 2.6699999999999999 110.878 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.652 ' HB2' HG12 ' A' 1912 ' ' ILE . 5.2 m-20 -98.23 146.33 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.129 -0.487 . . . . 2.4900000000000002 111.156 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.13 -47.19 83.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 2.2400000000000002 110.287 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.66 -41.78 91.35 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.333 -0.394 . . . . 2.4900000000000002 110.676 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.652 HG12 ' HB2' ' A' 1909 ' ' ASN . 29.7 mm -58.22 -51.09 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.054 -0.521 . . . . 1.3899999999999999 110.874 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.0 -42.1 99.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.558 -0.83 . . . . 0.57999999999999996 112.103 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.92 92.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.135 0.493 . . . . 1.22 110.581 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.627 ' O ' ' HG2' ' A' 1919 ' ' ARG . 30.0 m-70 -66.98 -39.6 87.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.707 -0.678 . . . . 2.1800000000000002 111.326 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' 1912 ' ' ILE . 92.2 mt -53.47 -51.98 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.996 0.427 . . . . 1.1299999999999999 110.162 176.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.5 mtpp -55.96 -49.35 73.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.383 -0.826 . . . . 1.8100000000000001 110.681 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -65.31 -34.09 77.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.958 -1.019 . . . . 2.52 112.526 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.716 ' HA ' ' HG3' ' A' 1922 ' ' GLU . 38.5 mmt180 -69.03 -36.17 77.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.004 0.431 . . . . 3.1499999999999999 110.693 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.471 HG13 ' HA ' ' A' 1897 ' ' ALA . 40.3 t -70.9 -27.8 31.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.768 -0.456 . . . . 1.1200000000000001 109.768 176.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.655 HE22 ' HA ' ' A' 1835 ' ' ILE . 22.4 mm-40 -64.7 -36.1 83.19 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.213 -0.449 . . . . 1.22 109.87 174.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.716 ' HG3' ' HA ' ' A' 1919 ' ' ARG . 4.2 mt-10 -62.81 -49.29 75.54 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.273 -0.64 . . . . 1.49 109.273 176.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 41.6 mt -59.8 -29.29 68.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.338 -0.847 . . . . 1.3700000000000001 110.711 176.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1924 ' ' GLY . . . . . 0.428 ' O ' HD13 ' A' 1835 ' ' ILE . . . -64.35 -23.0 67.98 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.731 -0.668 . . . . 0.64000000000000001 112.664 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -108.36 -19.07 13.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.961 0.41 . . . . 0.85999999999999999 110.325 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1926 ' ' GLY . . . . . 0.563 ' HA2' ' HD3' ' A' 1956 ' ' ARG . . . -76.9 -58.98 3.3 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.005 -0.617 . . . . 0.28000000000000003 112.001 175.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 61.9 m -61.3 -40.5 94.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 1.6599999999999999 110.846 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 3.3 p -57.23 -52.24 66.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 1.5 111.09 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.42 91.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.819 -0.628 . . . . 1.01 111.072 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.546 ' CD1' HG23 ' A' 1868 ' ' VAL . 0.3 OUTLIER -63.35 -53.5 51.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 1.0700000000000001 110.594 -178.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1931 ' ' VAL . . . . . 0.564 HG13 ' HA ' ' A' 1886 ' ' ALA . 31.7 m -66.67 -30.61 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.402 -0.363 . . . . 1.0800000000000001 110.969 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 92.1 m -67.93 -45.25 74.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 1.4099999999999999 110.19 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.478 ' HE2' ' CB ' ' A' 1949 ' ' GLU . 29.6 tptt -66.48 -37.28 84.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.89 -0.596 . . . . 1.6799999999999999 110.568 -177.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.14 81.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.221 -0.445 . . . . 1.03 111.095 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -62.85 -38.23 96.2 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.592 -0.814 . . . . 0.42999999999999999 111.732 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.16 -34.85 61.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.793 0.33 . . . . 1.3100000000000001 111.024 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' 1937 ' ' LEU . 3.0 tm? -67.96 -33.96 75.66 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.742 -0.466 . . . . 1.1200000000000001 109.742 -178.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -68.6 -25.68 64.99 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.998 0.428 . . . . 1.46 110.978 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 67.8 m -77.57 -13.04 60.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.983 -0.553 . . . . 2.3599999999999999 110.642 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 49.4 m -151.46 64.66 6.13 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.311 -0.626 . . . . 1.0 109.311 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.13 10.67 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.949 2.433 . . . . 0.72999999999999998 113.717 -171.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 23.1 t -123.31 4.51 9.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.287 0.565 . . . . 1.95 109.846 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -86.52 131.97 34.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.0 -0.545 . . . . 1.1599999999999999 110.398 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 42.3 t -79.99 -41.26 21.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.057 -0.52 . . . . 1.96 110.543 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 48.3 t80 -59.27 -54.39 47.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.154 -0.476 . . . . 2.25 111.323 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.408 HG23 ' HE3' ' A' 1933 ' ' LYS . 15.6 m -61.22 -41.01 96.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 1.1200000000000001 111.064 -178.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.493 ' O ' HG13 ' A' 1951 ' ' ILE . 6.6 ttpm? -66.72 -42.32 86.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 1.8500000000000001 110.499 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -59.42 -41.91 90.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 3.1899999999999999 110.073 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.478 ' CB ' ' HE2' ' A' 1933 ' ' LYS . 47.0 mt-10 -63.71 -40.42 96.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.037 -0.528 . . . . 1.53 110.59 176.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.5 tt -64.23 -40.06 95.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.442 -0.344 . . . . 1.0900000000000001 110.394 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' 1947 ' ' LYS . 78.6 mt -59.57 -41.75 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.942 -0.392 . . . . 1.1100000000000001 109.942 176.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.41 -43.58 98.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.143 -0.481 . . . . 2.1099999999999999 110.313 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.595 ' O ' HG21 ' A' 1957 ' ' VAL . 82.3 m -60.79 -42.75 98.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.565 . . . . 1.6799999999999999 110.88 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1954 ' ' ALA . . . . . 0.423 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -62.53 -46.79 86.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 1.0800000000000001 110.778 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.53 ' O ' ' HG3' ' A' 1959 ' ' GLU . 98.9 mtt180 -60.68 -33.13 72.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.02 -0.536 . . . . 3.7200000000000002 110.452 178.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.573 ' O ' ' HG2' ' A' 1960 ' ' LYS . 0.0 OUTLIER -66.89 -33.25 75.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.886 -0.597 . . . . 3.6299999999999999 110.504 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.803 ' HB ' HG21 ' A' 1868 ' ' VAL . 37.9 t -77.48 -45.86 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 1.0600000000000001 110.561 -178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 69.5 m -54.77 -37.91 66.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.97 -0.559 . . . . 1.6599999999999999 111.403 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' 1955 ' ' ARG . 60.3 mt-10 -68.81 -33.05 73.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.42 . . . . 1.8600000000000001 110.702 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.2 mmtt -74.3 -39.04 63.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.145 -0.479 . . . . 1.4199999999999999 110.634 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.79 HG13 ' HB1' ' A' 1865 ' ' ALA . 40.1 t -56.75 -44.97 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.85 0.357 . . . . 1.0800000000000001 110.637 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 17.0 m -60.64 -34.89 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.023 -0.535 . . . . 1.54 110.665 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.577 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 37.4 m80 -74.52 -35.55 63.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.8899999999999999 111.34 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' 1919 ' ' ARG . 78.2 t -61.8 -51.13 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.642 -0.503 . . . . 1.1200000000000001 109.642 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' 1861 ' ' ALA . 69.3 mt -58.9 -40.25 83.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.586 -0.734 . . . . 1.0800000000000001 110.635 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.11 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.608 . . . . 1.1200000000000001 111.491 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.19 90.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 1.0900000000000001 110.614 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.667 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.3 mm? -70.45 -55.15 9.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.846 -0.615 . . . . 1.1000000000000001 110.939 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -66.22 -18.27 65.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.97 -0.559 . . . . 1.7 112.14 -174.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 116.683 -0.235 . . . . 1.46 110.824 178.153 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.748 0.308 . . . . 1.28 111.325 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.28 -45.98 68.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.935 0.398 . . . . 0.87 110.173 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 34.6 m -61.05 -39.51 90.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 1.3500000000000001 110.832 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.95 -49.65 83.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 121.054 0.454 . . . . 1.0900000000000001 110.449 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 25.4 m -63.84 -39.01 93.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 1.1399999999999999 111.162 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -65.82 -36.35 83.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.709 0.29 . . . . 3.02 110.551 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.598 ' O ' ' HG ' ' A' 1838 ' ' LEU . . . -62.04 -40.32 95.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 1.0600000000000001 110.278 176.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.74 -54.12 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 1.1899999999999999 110.568 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -59.16 -54.26 48.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.54 -0.754 . . . . 0.80000000000000004 111.907 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -59.19 -30.61 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.146 0.424 . . . . 1.0 112.146 -172.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' 1834 ' ' ALA . 92.7 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.088 0.471 . . . . 1.25 110.905 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.53 ' HE1' HD11 ' A' 1916 ' ' ILE . 83.9 t80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.011 0.434 . . . . 0.89000000000000001 110.737 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.1 p -64.89 -36.63 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 1.3400000000000001 110.939 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.77 -50.69 65.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.083 0.468 . . . . 1.71 110.635 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1853 ' ' TYR . . . . . 0.447 ' HD1' ' HB3' ' A' 1899 ' ' GLN . 57.7 m-85 -65.48 -33.88 76.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.863 -0.608 . . . . 1.4299999999999999 111.041 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.6 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 7.1 tt0 -61.13 -53.17 60.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.423 -0.353 . . . . 1.21 110.507 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 6.9 p -60.1 -28.68 68.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.426 -0.352 . . . . 2.1099999999999999 111.807 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 51.1 m -78.16 -51.35 10.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.748 0.308 . . . . 1.1899999999999999 111.032 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.3 mtp -62.04 -39.82 93.64 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.284 0.476 . . . . 1.1000000000000001 112.284 -174.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.687 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.6 m -62.26 -32.82 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.598 -0.441 . . . . 1.0700000000000001 111.011 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -72.15 -49.45 35.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.926 0.394 . . . . 3.6299999999999999 110.488 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.51 ' HB ' HD21 ' A' 1896 ' ' LEU . 19.3 m -65.05 -33.33 75.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 1.1100000000000001 110.881 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.505 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.56 -45.04 94.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.478 -0.328 . . . . 1.0900000000000001 110.507 176.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.687 ' HG3' ' O ' ' A' 1858 ' ' VAL . 62.1 mttm -58.81 -36.71 74.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.446 -0.343 . . . . 1.8799999999999999 110.439 175.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.94 -49.51 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 1.1499999999999999 111.264 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.683 HD11 HG21 ' A' 1961 ' ' VAL . 1.5 pp -67.43 -25.4 33.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.952 0.406 . . . . 1.0800000000000001 110.202 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.695 ' HB1' HG12 ' A' 1961 ' ' VAL . . . -67.75 -28.87 67.99 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.016 -0.538 . . . . 0.98999999999999999 110.751 176.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' 1862 ' ' LYS . 58.4 t -73.27 -35.03 45.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.106 0.479 . . . . 1.45 109.718 175.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 20.6 m -66.89 -45.62 77.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 1.0600000000000001 110.972 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.772 HG23 ' HB ' ' A' 1957 ' ' VAL . 2.8 p -65.74 -35.69 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.713 0.292 . . . . 1.05 110.812 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -71.75 -26.96 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.91000000000000003 109.817 178.321 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' 1869 ' ' GLN . 4.0 tp10 -73.09 -34.83 66.44 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.566 -0.531 . . . . 0.56999999999999995 109.566 176.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.526 ' SD ' HD22 ' A' 1882 ' ' LEU . 3.7 mmt -55.77 -53.49 56.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.843 -0.617 . . . . 1.25 111.592 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 9.3 p -60.5 -39.42 81.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.255 0.55 . . . . 1.27 111.001 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 47.7 m -72.09 -43.03 65.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.615 -0.72 . . . . 1.1499999999999999 111.358 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.779 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 10.0 mmpt? -73.83 -33.75 64.28 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 111.596 0.221 . . . . 1.97 111.596 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 23.6 t -60.57 -30.28 69.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.2 0.524 . . . . 1.74 110.076 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -81.55 -23.83 36.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 0.76000000000000001 111.833 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1877 ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' 1874 ' ' LYS . 7.8 p -109.4 -44.93 3.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.171 0.804 . . . . 1.71 113.171 -172.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1878 ' ' SER . . . . . 0.411 ' HA ' ' HD2' ' A' 1879 ' ' PRO . 6.7 t -152.57 101.77 2.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.761 -0.459 . . . . 1.4299999999999999 109.761 -174.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1879 ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' 1878 ' ' SER . 29.1 Cg_endo -63.13 -29.4 74.39 Favored 'Trans proline' 0 N--CA 1.467 -0.079 0 C-N-CA 122.929 2.419 . . . . 1.02 113.046 -175.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.04 -23.57 62.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.663 0.268 . . . . 2.2400000000000002 111.275 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.743 ' O ' ' HG ' ' A' 1885 ' ' LEU . 35.6 mm-40 -71.96 -12.62 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 1.8899999999999999 110.72 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.526 HD22 ' SD ' ' A' 1871 ' ' MET . 84.8 mt -72.3 -19.7 61.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.4 -0.363 . . . . 1.1399999999999999 110.729 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1883 ' ' GLY . . . . . 0.403 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -66.77 -55.59 16.55 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.831 -0.699 . . . . 0.42999999999999999 112.836 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' 1883 ' ' GLY . 10.2 Cg_endo -58.13 -37.59 94.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.276 1.984 . . . . 1.0 112.303 174.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' 1881 ' ' GLU . 25.1 mt -67.17 -40.95 86.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.781 0.324 . . . . 1.0700000000000001 110.496 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1886 ' ' ALA . . . . . 0.57 ' HA ' HG11 ' A' 1931 ' ' VAL . . . -59.66 -30.2 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.365 0.602 . . . . 1.1000000000000001 110.196 177.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -73.54 -52.37 13.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.293 -0.867 . . . . 1.4299999999999999 110.751 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.14 -45.12 93.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.05 -0.523 . . . . 1.0700000000000001 112.109 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.15 -27.57 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.226 0.536 . . . . 1.05 110.383 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 49.2 m -81.07 -46.55 14.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.414 -0.812 . . . . 1.0800000000000001 111.417 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 78.1 p -66.29 -51.09 60.88 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.929 0.395 . . . . 1.72 111.058 -172.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.478 ' HA ' ' HB3' ' A' 1895 ' ' ARG . 2.5 m-20 -66.34 -25.47 66.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.914 -0.585 . . . . 0.80000000000000004 111.778 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 42.1 t80 -68.46 -43.51 76.85 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.659 -0.416 . . . . 1.05 110.254 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -70.3 -29.43 70.22 Favored Glycine 0 CA--C 1.504 -0.639 0 N-CA-C 109.771 -1.332 . . . . 0.34000000000000002 109.771 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.478 ' HB3' ' HA ' ' A' 1892 ' ' ASP . 39.4 ttt180 -62.36 -49.11 76.84 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 113.967 -1.116 . . . . 3.48 110.126 171.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.51 HD21 ' HB ' ' A' 1860 ' ' THR . 10.5 mt -57.96 -47.21 83.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.44 -0.345 . . . . 1.45 111.03 176.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -58.06 -25.71 61.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.753 -0.658 . . . . 1.1499999999999999 111.795 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 10.1 t -66.59 -45.31 79.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.628 -0.26 . . . . 1.8899999999999999 110.433 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.502 ' O ' ' HD2' ' A' 1902 ' ' PRO . 0.7 OUTLIER -77.6 -24.59 49.61 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.452 0.168 . . . . 1.5600000000000001 111.452 178.528 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.96 79.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.693 0.283 . . . . 1.0700000000000001 111.532 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.879 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 7.9 mtpm? -60.52 -58.84 16.39 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.339 -0.391 . . . . 2.8500000000000001 111.486 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.879 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 22.6 Cg_exo -65.87 -32.13 46.25 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.202 1.934 . . . . 0.87 112.641 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.44 93.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.368 . . . . 1.0700000000000001 110.952 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -67.52 -43.84 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 1.0800000000000001 111.492 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1905 ' ' VAL . . . . . 0.432 HG13 ' HA ' ' A' 1902 ' ' PRO . 11.1 p -76.42 -31.54 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 116.303 -0.408 . . . . 1.9199999999999999 111.561 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -80.26 -8.56 59.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.009 0.433 . . . . 1.1699999999999999 110.57 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.1 143.37 52.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.7 -0.682 . . . . 1.23 110.422 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.11 -52.22 13.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.075 -0.512 . . . . 2.6699999999999999 110.779 -177.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.529 ' HB2' HG12 ' A' 1912 ' ' ILE . 2.8 m-20 -86.31 138.28 31.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.154 -0.475 . . . . 2.4900000000000002 110.356 178.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.59 -40.8 97.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.087 -0.506 . . . . 2.2400000000000002 110.24 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.17 -33.64 75.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.908 -0.587 . . . . 2.4900000000000002 110.864 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.529 HG12 ' HB2' ' A' 1909 ' ' ASN . 34.3 mm -68.13 -47.73 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.41 . . . . 1.3899999999999999 110.286 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.69 -41.36 99.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.619 -0.8 . . . . 0.57999999999999996 111.525 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1914 ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' A' 1917 ' ' LYS . . . -61.79 -37.63 85.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.121 0.486 . . . . 1.22 110.77 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.8 t-160 -66.04 -40.36 90.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.726 -0.67 . . . . 2.1800000000000002 110.534 -177.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.53 HD11 ' HE1' ' A' 1850 ' ' PHE . 94.0 mt -63.54 -54.9 26.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 1.1299999999999999 110.975 178.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.673 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.1 ptmt -61.66 -34.43 75.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 1.8100000000000001 110.889 -175.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -71.86 -29.63 64.58 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.807 0.299 . . . . 2.52 111.807 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.802 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 28.7 mmt180 -76.61 -31.82 57.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.882 0.373 . . . . 3.1499999999999999 110.644 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' 1916 ' ' ILE . 21.3 t -71.54 -25.55 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.504 -0.554 . . . . 1.1200000000000001 109.504 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.673 ' HG2' ' O ' ' A' 1917 ' ' LYS . 23.7 mm-40 -63.34 -38.59 91.74 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.212 -0.662 . . . . 1.22 109.212 172.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.898 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 4.6 mt-10 -60.16 -51.62 68.8 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.518 -0.765 . . . . 1.49 109.757 176.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.17 -38.38 70.82 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.559 -0.746 . . . . 1.3700000000000001 110.299 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1924 ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -56.33 -52.18 51.43 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.842 -0.694 . . . . 0.64000000000000001 112.168 177.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -71.5 -38.45 71.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.684 0.278 . . . . 0.85999999999999999 110.948 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.45 -56.4 10.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.082 -0.58 . . . . 0.28000000000000003 112.642 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 73.5 m -60.33 -37.96 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 1.6599999999999999 110.438 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1928 ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' 1924 ' ' GLY . 15.1 t -59.81 -52.21 66.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.196 -0.457 . . . . 1.5 110.261 176.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.25 93.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 1.01 110.818 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.569 HD12 HG22 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.21 -53.07 62.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.76 -0.654 . . . . 1.0700000000000001 110.715 -178.716 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1931 ' ' VAL . . . . . 0.57 HG11 ' HA ' ' A' 1886 ' ' ALA . 30.9 m -67.32 -33.47 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.953 -0.299 . . . . 1.0800000000000001 111.083 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.1 m -61.7 -46.67 88.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.028 0.442 . . . . 1.4099999999999999 110.156 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.65 -36.59 84.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.826 -0.625 . . . . 1.6799999999999999 111.001 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1934 ' ' ALA . . . . . 0.619 ' O ' ' HG3' ' A' 1938 ' ' GLN . . . -59.74 -47.15 86.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.56 0.219 . . . . 1.03 110.822 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.21 -43.8 96.9 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.628 -0.796 . . . . 0.42999999999999999 111.976 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.39 74.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 1.3100000000000001 111.084 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.534 ' O ' HD12 ' A' 1937 ' ' LEU . 2.7 tm? -73.78 -27.75 61.3 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.697 -0.483 . . . . 1.1200000000000001 109.697 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1938 ' ' GLN . . . . . 0.619 ' HG3' ' O ' ' A' 1934 ' ' ALA . 46.1 mt-30 -77.39 -26.5 51.83 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.212 0.53 . . . . 1.46 110.389 176.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 50.6 t -73.82 -35.98 64.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.439 -0.8 . . . . 2.3599999999999999 109.475 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 19.7 m -133.55 72.23 74.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.011 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.1 -11.43 32.21 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.73 2.287 . . . . 0.72999999999999998 112.378 -174.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 41.7 t -97.4 -5.38 36.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.31 -0.859 . . . . 1.95 110.963 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.44 114.51 22.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 1.1599999999999999 110.652 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 52.0 t -67.74 -32.18 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.772 -0.649 . . . . 1.96 110.613 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.421 ' O ' ' HG2' ' A' 1949 ' ' GLU . 66.1 t80 -59.02 -57.1 14.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 2.25 110.987 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.417 ' HB ' HD22 ' A' 1937 ' ' LEU . 19.4 m -61.66 -37.97 86.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.823 0.344 . . . . 1.1200000000000001 111.065 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' 1951 ' ' ILE . 39.5 ttpt -63.6 -44.85 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 1.8500000000000001 110.053 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.45 ' HB3' ' HE3' ' A' 1948 ' ' LYS . 17.4 ttpp -59.5 -45.21 92.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.99 -0.55 . . . . 3.1899999999999999 110.29 175.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' 1945 ' ' TYR . 46.3 mm-40 -54.81 -45.71 74.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.746 -0.661 . . . . 1.53 110.583 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.495 ' HG ' HD21 ' A' 1930 ' ' LEU . 9.5 tt -66.48 -40.68 89.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.297 -0.41 . . . . 1.0900000000000001 110.86 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' 1947 ' ' LYS . 81.4 mt -57.24 -42.06 79.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.175 0.512 . . . . 1.1100000000000001 110.115 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.623 ' O ' ' HG3' ' A' 1956 ' ' ARG . 82.8 mt-10 -72.73 -35.92 67.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.736 . . . . 2.1099999999999999 110.639 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.404 ' O ' HG22 ' A' 1957 ' ' VAL . 90.6 m -63.89 -36.7 84.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 1.6799999999999999 110.579 176.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.21 76.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 1.0800000000000001 111.287 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' 1952 ' ' GLU . 39.5 ptt180 -65.41 -27.17 68.35 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.706 -0.398 . . . . 3.7200000000000002 110.546 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' 1952 ' ' GLU . 57.7 mtt180 -60.42 -56.8 17.03 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.983 0.42 . . . . 3.6299999999999999 109.912 174.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.772 ' HB ' HG23 ' A' 1868 ' ' VAL . 38.0 t -60.46 -39.2 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 1.0600000000000001 110.862 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 18.4 m -57.02 -35.43 69.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 1.6599999999999999 111.169 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' 1955 ' ' ARG . 58.6 mt-10 -76.17 -36.7 58.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.459 . . . . 1.8600000000000001 110.6 177.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.898 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.3 mmtt -65.55 -36.81 84.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.756 -0.656 . . . . 1.4199999999999999 110.574 -177.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.695 HG12 ' HB1' ' A' 1865 ' ' ALA . 60.5 t -56.57 -50.31 73.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.094 0.474 . . . . 1.0800000000000001 110.445 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 9.0 t -61.34 -35.6 77.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.44 -0.8 . . . . 1.54 110.223 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.802 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 19.1 m170 -62.79 -46.96 85.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 1.8899999999999999 111.077 177.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' 1960 ' ' LYS . 61.0 t -61.82 -48.64 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 1.1200000000000001 110.422 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.484 HD21 ' HB1' ' A' 1861 ' ' ALA . 91.3 mt -54.79 -49.66 70.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 1.0800000000000001 110.736 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.36 75.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 1.1200000000000001 111.393 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.23 90.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.799 0.333 . . . . 1.0900000000000001 110.878 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.6 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -68.34 -46.61 69.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.49 . . . . 1.1000000000000001 110.72 177.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.3 -20.76 64.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 1.7 111.277 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 CA-C-O 121.185 0.517 . . . . 1.46 110.606 177.305 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 120.922 0.391 . . . . 1.28 110.703 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.63 -36.25 83.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 0.87 110.346 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 72.5 m -59.8 -29.47 68.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.84 -0.618 . . . . 1.3500000000000001 110.804 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 68.1 mt -70.68 -47.85 61.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.212 -0.449 . . . . 1.0900000000000001 110.358 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 17.2 m -68.1 -40.66 82.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 1.1399999999999999 111.051 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -65.89 -31.78 72.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.658 0.266 . . . . 3.02 110.648 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.503 ' HB3' ' CB ' ' A' 1897 ' ' ALA . . . -63.53 -27.95 69.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.064 0.459 . . . . 1.0600000000000001 110.728 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.67 -54.6 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.822 -0.627 . . . . 1.1899999999999999 109.959 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -65.6 -36.61 84.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.41 -0.814 . . . . 0.80000000000000004 112.091 -174.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1837 ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' 1834 ' ' ALA . 26.1 pt20 -59.25 -33.96 71.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.633 0.254 . . . . 1.0 111.433 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.48 -0.327 . . . . 1.25 111.235 -176.12 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.493 ' HE1' HD13 ' A' 1916 ' ' ILE . 54.5 t80 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.739 0.304 . . . . 0.89000000000000001 110.346 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.3 p -59.28 -33.12 49.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.181 -0.463 . . . . 1.3400000000000001 111.509 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.73 -50.53 35.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.038 0.447 . . . . 1.71 110.551 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.4 -34.35 77.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 1.4299999999999999 110.347 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.686 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.8 tt0 -55.54 -57.23 12.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 1.21 110.243 173.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 27.4 m -57.57 -37.14 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 2.1099999999999999 111.091 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 29.8 m -72.79 -52.17 16.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.142 -0.481 . . . . 1.1899999999999999 111.262 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.3 mtp -64.61 -38.44 91.01 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.32 0.489 . . . . 1.1000000000000001 112.32 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.64 ' O ' ' HG2' ' A' 1862 ' ' LYS . 31.0 m -62.65 -35.71 71.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.183 -0.607 . . . . 1.0700000000000001 110.733 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -71.42 -38.88 71.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.984 0.421 . . . . 3.6299999999999999 110.733 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.611 ' HB ' HD23 ' A' 1896 ' ' LEU . 6.1 m -69.13 -36.09 77.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.18 -0.463 . . . . 1.1100000000000001 110.495 179.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.61 ' HB1' HD22 ' A' 1965 ' ' LEU . . . -63.64 -36.1 82.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 1.0900000000000001 110.976 177.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.64 ' HG2' ' O ' ' A' 1858 ' ' VAL . 68.9 mmtt -58.99 -40.8 85.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.235 0.54 . . . . 1.8799999999999999 110.148 176.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.81 81.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.349 -0.842 . . . . 1.1499999999999999 111.616 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.756 HD12 HG22 ' A' 1961 ' ' VAL . 1.2 pp -79.11 -31.42 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.304 -0.558 . . . . 1.0800000000000001 110.014 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.822 ' HB3' HG12 ' A' 1961 ' ' VAL . . . -70.77 -41.4 71.75 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.47 -0.332 . . . . 0.98999999999999999 111.434 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 13.2 p -66.17 -28.83 44.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 1.45 109.953 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 87.4 m -73.39 -46.86 46.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 1.0600000000000001 111.174 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.768 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.3 p -67.96 -31.43 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 1.05 110.785 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.579 ' O ' HG13 ' A' 1872 ' ' VAL . 0.0 OUTLIER -74.52 -26.99 60.34 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.358 -0.608 . . . . 0.91000000000000003 109.358 176.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.476 ' HG3' ' CG ' ' A' 1874 ' ' LYS . 6.3 tp10 -74.6 -28.34 60.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.038 -0.528 . . . . 0.56999999999999995 110.08 178.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.538 ' SD ' HD21 ' A' 1882 ' ' LEU . 8.3 mmt -55.62 -45.39 77.56 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.873 -0.603 . . . . 1.25 111.523 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.582 HG22 HG21 ' A' 1951 ' ' ILE . 9.7 p -65.04 -32.03 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.459 0.647 . . . . 1.27 110.778 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1873 ' ' THR . . . . . 0.49 ' O ' HG23 ' A' 1877 ' ' THR . 88.4 m -80.17 -54.99 5.24 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.351 -0.84 . . . . 1.1499999999999999 110.661 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.795 ' HG3' HD11 ' A' 1885 ' ' LEU . 8.9 mmpt? -59.33 -40.47 86.43 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.167 -0.47 . . . . 1.97 111.493 -177.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 9.6 t -59.56 -24.9 64.1 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.122 0.487 . . . . 1.74 110.875 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -82.03 -43.16 18.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.605 . . . . 0.76000000000000001 112.141 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1877 ' ' THR . . . . . 0.49 HG23 ' O ' ' A' 1873 ' ' THR . 1.5 t -108.81 -25.1 10.97 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.395 0.887 . . . . 1.71 113.395 -169.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 22.7 m -158.06 76.44 3.67 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.109 -0.33 . . . . 1.4299999999999999 110.109 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.14 -17.66 59.42 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.73 2.287 . . . . 1.02 112.886 -175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.17 -17.91 61.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.832 0.349 . . . . 2.2400000000000002 111.178 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.573 ' O ' ' HG ' ' A' 1885 ' ' LEU . 22.6 mt-10 -81.77 -9.77 59.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 1.8899999999999999 110.922 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.538 HD21 ' SD ' ' A' 1871 ' ' MET . 95.0 mt -67.27 -34.04 76.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 1.1399999999999999 111.197 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -59.63 -54.45 37.61 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 121.172 -0.537 . . . . 0.42999999999999999 112.841 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.87 -39.14 78.99 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.863 2.376 . . . . 1.0 112.489 172.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.795 HD11 ' HG3' ' A' 1874 ' ' LYS . 77.9 mt -68.74 -45.24 71.99 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.467 -0.333 . . . . 1.0700000000000001 110.589 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.07 -31.14 64.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.115 -0.493 . . . . 1.1000000000000001 109.777 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -72.98 -49.92 26.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.713 -0.676 . . . . 1.4299999999999999 110.758 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.57 -42.2 92.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.506 -0.316 . . . . 1.0700000000000001 110.704 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.491 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.9 tp -55.21 -44.4 75.35 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.697 -0.483 . . . . 1.05 109.697 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 43.2 m -62.49 -48.8 77.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.406 -0.816 . . . . 1.0800000000000001 111.013 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 8.5 t -64.31 -51.68 62.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.541 -0.754 . . . . 1.72 111.508 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.448 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 5.0 m-20 -67.2 -34.97 78.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.596 -0.274 . . . . 0.80000000000000004 111.374 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 67.3 t80 -63.2 -44.12 96.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 1.05 110.429 176.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.22 -35.48 78.14 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.983 -0.627 . . . . 0.34000000000000002 111.854 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 91.0 mtt180 -66.83 -49.82 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.0 -0.37 . . . . 3.48 110.0 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.611 HD23 ' HB ' ' A' 1860 ' ' THR . 20.0 mt -57.07 -44.14 82.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.114 -0.494 . . . . 1.45 111.568 177.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1897 ' ' ALA . . . . . 0.503 ' CB ' ' HB3' ' A' 1834 ' ' ALA . . . -60.43 -31.11 70.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.995 -0.548 . . . . 1.1499999999999999 111.522 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 23.2 t -74.87 -47.89 27.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.89 0.376 . . . . 1.8899999999999999 110.152 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.444 ' O ' ' HD2' ' A' 1902 ' ' PRO . 71.0 mt-30 -66.31 -24.93 66.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 1.5600000000000001 111.528 -176.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.37 -29.71 70.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 1.0700000000000001 111.894 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.838 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 99.3 mttt -65.06 -60.05 8.79 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.794 -0.184 . . . . 2.8500000000000001 111.312 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.838 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 25.5 Cg_exo -63.92 -31.57 66.95 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.858 1.705 . . . . 0.87 111.945 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.55 96.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.771 0.319 . . . . 1.0700000000000001 110.8 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1904 ' ' ALA . . . . . 0.416 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -63.63 -41.17 98.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 1.0800000000000001 111.001 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 45.4 t -75.52 -34.69 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.05 -0.523 . . . . 1.9199999999999999 111.07 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1906 ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -81.22 -12.07 59.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 1.1699999999999999 111.775 -177.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1907 ' ' ALA . . . . . 0.458 ' HA ' ' CD1' ' A' 1850 ' ' PHE . . . -57.46 141.76 46.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 1.23 111.42 -177.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -64.26 -25.31 68.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 2.6699999999999999 110.738 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.47 ' HB3' HG12 ' A' 1912 ' ' ILE . 40.8 t30 -131.45 134.65 46.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.638 -0.71 . . . . 2.4900000000000002 109.229 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.4 -44.8 95.33 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.669 0.271 . . . . 2.2400000000000002 111.479 -174.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.85 -26.75 67.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 2.4900000000000002 111.114 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.47 HG12 ' HB3' ' A' 1909 ' ' ASN . 43.0 mm -69.49 -40.5 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.754 -0.462 . . . . 1.3899999999999999 109.754 175.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1913 ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -62.2 -44.09 98.2 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.83 -0.7 . . . . 0.57999999999999996 111.458 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.99 93.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.273 0.559 . . . . 1.22 110.141 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.537 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.3 t-160 -61.72 -41.03 97.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.321 -0.854 . . . . 2.1800000000000002 110.346 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.493 HD13 ' HE1' ' A' 1850 ' ' PHE . 85.0 mt -63.78 -54.97 25.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 1.1299999999999999 111.3 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' 1921 ' ' GLN . 12.2 ptmm? -64.44 -31.44 72.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 1.8100000000000001 111.14 -174.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -73.52 -26.94 61.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.472 -0.331 . . . . 2.52 110.518 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.652 ' HB3' HG22 ' A' 1964 ' ' VAL . 28.4 mmt180 -74.97 -30.24 61.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.798 0.332 . . . . 3.1499999999999999 110.86 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.401 HG11 ' HA ' ' A' 1897 ' ' ALA . 42.4 t -69.18 -30.56 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.514 -0.55 . . . . 1.1200000000000001 109.514 174.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' 1917 ' ' LYS . 18.4 mm-40 -63.61 -41.18 98.33 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.373 -0.603 . . . . 1.22 109.373 174.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.949 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 38.2 mm-40 -55.11 -49.29 72.1 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.045 -0.98 . . . . 1.49 110.156 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' 1923 ' ' LEU . 13.1 mt -62.94 -42.43 99.81 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.349 -0.841 . . . . 1.3700000000000001 111.229 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.84 -51.6 38.71 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.032 -0.604 . . . . 0.64000000000000001 112.621 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -60.43 -37.31 80.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.779 0.323 . . . . 0.85999999999999999 111.213 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1926 ' ' GLY . . . . . 0.582 ' HA3' HG23 ' A' 1957 ' ' VAL . . . -76.49 -52.42 6.04 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.69 -0.767 . . . . 0.28000000000000003 112.476 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 85.8 m -58.0 -43.98 86.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 122.302 0.241 . . . . 1.6599999999999999 111.62 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 16.4 m -56.1 -46.15 79.18 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.111 0.481 . . . . 1.5 110.786 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.29 72.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 1.01 111.188 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.661 HD13 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.56 -51.29 69.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.928 -0.578 . . . . 1.0700000000000001 111.133 -176.617 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 28.6 m -65.76 -32.35 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 1.0800000000000001 110.716 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 68.3 m -69.97 -39.5 75.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 1.4099999999999999 110.793 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.457 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 34.7 tptt -70.65 -39.34 73.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.291 -0.413 . . . . 1.6799999999999999 110.489 -178.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.44 89.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 1.03 111.466 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.32 -37.43 91.91 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.797 -0.716 . . . . 0.42999999999999999 112.103 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -80.47 -27.35 37.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.856 0.36 . . . . 1.3100000000000001 110.869 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.466 HD13 HD13 ' A' 1882 ' ' LEU . 2.8 tm? -73.87 -36.05 64.79 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 116.256 -0.429 . . . . 1.1200000000000001 110.065 -177.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.72 -26.08 67.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.143 0.497 . . . . 1.46 110.888 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 65.5 m -77.39 -18.89 56.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.79 -0.641 . . . . 2.3599999999999999 110.458 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 7.1 m -141.51 59.76 10.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.686 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.77 7.48 2.75 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.701 2.267 . . . . 0.72999999999999998 113.973 -169.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 25.0 t -119.99 -0.65 10.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.227 0.536 . . . . 1.95 109.874 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -78.93 140.12 38.13 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.923 -0.58 . . . . 1.1599999999999999 110.682 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 16.9 m -85.2 -41.7 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.208 -0.451 . . . . 1.96 112.024 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.64 -48.22 75.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 2.25 111.197 -175.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 14.0 m -65.07 -40.28 94.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.073 -0.512 . . . . 1.1200000000000001 110.881 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -67.02 -41.84 85.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 1.8500000000000001 110.42 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -51.8 -48.4 63.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.671 -0.695 . . . . 3.1899999999999999 111.006 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.457 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 31.4 mt-10 -65.54 -35.6 81.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.925 -0.58 . . . . 1.53 111.638 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.0 tt -68.92 -36.87 78.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.908 -0.404 . . . . 1.0900000000000001 109.908 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.582 HG21 HG22 ' A' 1872 ' ' VAL . 96.7 mt -60.9 -43.41 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.06 0.457 . . . . 1.1100000000000001 109.807 173.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' 1956 ' ' ARG . 9.3 mm-40 -60.81 -50.47 73.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.69 -0.686 . . . . 2.1099999999999999 110.378 176.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.573 ' O ' HG21 ' A' 1957 ' ' VAL . 33.8 t -59.88 -41.23 91.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.07 -0.514 . . . . 1.6799999999999999 110.744 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.37 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 1.0800000000000001 111.568 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' A' 1959 ' ' GLU . 35.7 ptt85 -69.74 -24.6 63.56 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.661 -0.416 . . . . 3.7200000000000002 110.799 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' 1952 ' ' GLU . 85.6 mtt180 -75.54 -41.67 54.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.526 -0.306 . . . . 3.6299999999999999 111.165 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.768 ' HB ' HG21 ' A' 1868 ' ' VAL . 88.0 t -64.91 -40.48 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.931 0.396 . . . . 1.0600000000000001 110.536 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 50.8 m -56.92 -31.4 64.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.555 . . . . 1.6599999999999999 111.863 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' 1955 ' ' ARG . 48.1 mt-10 -73.85 -24.95 59.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.309 0.576 . . . . 1.8600000000000001 110.517 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.949 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 75.1 mmtt -76.32 -41.08 49.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 1.4199999999999999 110.012 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.822 HG12 ' HB3' ' A' 1865 ' ' ALA . 12.1 t -57.86 -45.4 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 1.0800000000000001 111.186 -177.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 22.4 p -62.77 -31.34 72.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 1.54 110.661 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.478 ' HB3' ' NE ' ' A' 1919 ' ' ARG . 60.1 m170 -76.0 -39.29 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 1.8899999999999999 110.51 176.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.652 HG22 ' HB3' ' A' 1919 ' ' ARG . 64.9 t -59.77 -51.1 76.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.926 -0.398 . . . . 1.1200000000000001 109.926 176.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.61 HD22 ' HB1' ' A' 1861 ' ' ALA . 84.1 mt -57.39 -45.45 84.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.704 -0.68 . . . . 1.0800000000000001 110.967 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.86 70.2 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.843 -0.617 . . . . 1.1200000000000001 112.028 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.89 -28.31 69.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 1.0900000000000001 111.041 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.686 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.5 mm? -72.81 -48.88 34.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 1.1000000000000001 111.564 -179.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -73.34 -18.95 61.13 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.851 -0.34 . . . . 1.7 110.705 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.45 . . . . 1.46 110.402 176.534 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.146 0.498 . . . . 1.28 109.741 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.41 -42.13 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.679 -0.691 . . . . 0.87 110.119 174.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 23.3 m -63.53 -36.37 83.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 1.3500000000000001 110.996 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.432 HG22 ' CE2' ' A' 1893 ' ' TYR . 66.9 mt -66.66 -47.4 83.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.98 0.419 . . . . 1.0900000000000001 110.342 177.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 37.2 m -62.56 -37.04 84.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 1.1399999999999999 110.754 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.29 -41.19 98.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 3.02 110.014 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' 1837 ' ' GLN . . . -61.11 -35.68 77.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.561 . . . . 1.0600000000000001 110.997 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1835 ' ' ILE . . . . . 0.467 ' HA ' HE22 ' A' 1921 ' ' GLN . 46.7 mt -62.57 -48.63 87.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.296 -0.411 . . . . 1.1899999999999999 110.002 175.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -67.06 -38.15 85.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.493 -0.776 . . . . 0.80000000000000004 112.142 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1837 ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.3 pt20 -65.65 -33.36 75.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 1.0 110.542 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.513 HD23 ' HG2' ' A' 1901 ' ' LYS . 84.2 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 1.25 110.481 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.567 ' HE1' HD13 ' A' 1916 ' ' ILE . 86.8 t80 . . . . . 0 C--O 1.227 -0.086 0 N-CA-C 111.255 0.094 . . . . 0.89000000000000001 111.255 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 8.9 p -61.85 -33.8 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 1.3400000000000001 111.4 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.35 -48.4 70.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.128 0.49 . . . . 1.71 110.604 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -73.16 -34.48 66.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 1.4299999999999999 110.669 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.651 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 57.0 tt0 -56.61 -57.09 13.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.469 -0.332 . . . . 1.21 110.922 177.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 15.8 p -60.55 -31.0 70.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 2.1099999999999999 111.23 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 88.5 m -73.12 -51.68 17.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.38 -0.373 . . . . 1.1899999999999999 110.866 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 87.9 mtp -65.23 -42.42 93.4 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.327 0.491 . . . . 1.1000000000000001 112.327 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.712 ' O ' ' HG3' ' A' 1862 ' ' LYS . 18.9 m -62.93 -31.37 52.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.306 0 C-N-CA 120.123 -0.631 . . . . 1.0700000000000001 110.748 -177.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -73.18 -43.64 61.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 3.6299999999999999 110.626 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 13.4 m -67.23 -33.11 74.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 1.1100000000000001 110.684 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.68 -42.87 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 1.0900000000000001 110.89 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.712 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.8 mttt -62.65 -32.34 73.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.138 0.494 . . . . 1.8799999999999999 110.329 176.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.64 84.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.763 -0.653 . . . . 1.1499999999999999 111.25 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.768 HD11 HG23 ' A' 1961 ' ' VAL . 1.2 pp -78.58 -29.15 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.1 -0.64 . . . . 1.0800000000000001 109.838 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.795 ' HB1' HG12 ' A' 1961 ' ' VAL . . . -68.99 -43.39 74.97 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.336 -0.393 . . . . 0.98999999999999999 111.266 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.43 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 11.0 p -65.85 -25.38 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.226 0.536 . . . . 1.45 110.123 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 95.8 m -76.85 -47.67 20.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.013 -0.539 . . . . 1.0600000000000001 111.147 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.714 HG23 HD11 ' A' 1930 ' ' LEU . 3.7 p -66.78 -34.61 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.869 0.366 . . . . 1.05 110.676 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.562 ' O ' HG11 ' A' 1872 ' ' VAL . 0.0 OUTLIER -70.75 -26.0 63.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.644 -0.502 . . . . 0.91000000000000003 109.644 176.532 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.435 ' HG3' ' CG ' ' A' 1874 ' ' LYS . 8.6 tp10 -75.77 -31.21 59.41 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.695 -0.483 . . . . 0.56999999999999995 109.695 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.537 ' SD ' HD22 ' A' 1882 ' ' LEU . 8.5 mmt -55.06 -47.77 74.37 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.891 -0.595 . . . . 1.25 111.592 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.766 HG23 HG23 ' A' 1951 ' ' ILE . 10.0 p -64.43 -31.71 54.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.376 0.608 . . . . 1.27 110.709 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 96.4 m -79.12 -51.54 9.4 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.494 -0.775 . . . . 1.1499999999999999 110.923 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.718 ' HG3' HD13 ' A' 1885 ' ' LEU . 8.5 mmpt? -63.63 -29.79 70.99 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.145 -0.48 . . . . 1.97 111.783 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.485 ' HB3' ' HG3' ' A' 1947 ' ' LYS . 50.3 m -62.32 -26.59 68.52 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.948 -0.701 . . . . 1.74 110.587 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -82.48 -33.02 28.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.883 -0.598 . . . . 0.76000000000000001 111.485 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 20.0 p -108.34 -45.36 3.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.171 0.804 . . . . 1.71 113.171 -172.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 69.0 m -146.68 81.32 9.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.593 0.235 . . . . 1.4299999999999999 110.97 -169.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.47 -23.36 76.55 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.676 2.251 . . . . 1.02 112.948 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.72 -18.22 61.02 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.12 -0.232 . . . . 2.2400000000000002 111.54 -177.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' 1885 ' ' LEU . 37.4 mt-10 -81.39 -10.54 59.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.06 -0.256 . . . . 1.8899999999999999 111.318 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.537 HD22 ' SD ' ' A' 1871 ' ' MET . 90.6 mt -64.62 -33.97 77.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.578 0.228 . . . . 1.1399999999999999 111.005 -177.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.53 -54.81 31.24 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.965 -0.636 . . . . 0.42999999999999999 112.912 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.436 ' HD2' ' C ' ' A' 1881 ' ' GLU . 54.8 Cg_exo -55.16 -34.57 88.22 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.625 2.217 . . . . 1.0 112.741 172.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.718 HD13 ' HG3' ' A' 1874 ' ' LYS . 69.6 mt -71.87 -43.96 64.57 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.03 -0.268 . . . . 1.0700000000000001 110.393 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.95 71.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.6 -0.519 . . . . 1.1000000000000001 109.6 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -60.3 -53.77 53.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.149 -0.932 . . . . 1.4299999999999999 111.328 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -67.56 -43.53 80.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.456 -0.338 . . . . 1.0700000000000001 110.944 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.476 HD13 ' HB ' ' A' 1864 ' ' ILE . 52.1 tp -54.51 -40.5 68.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.009 0.433 . . . . 1.05 110.17 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 53.7 m -65.73 -47.14 76.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.637 -0.711 . . . . 1.0800000000000001 111.053 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 12.8 t -68.98 -49.89 53.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.097 -0.502 . . . . 1.72 111.359 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -64.57 -32.32 73.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.80000000000000004 110.834 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1893 ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 42.6 t80 -62.59 -44.54 96.06 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.711 -0.396 . . . . 1.05 110.031 173.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.11 -32.44 63.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.084 -0.579 . . . . 0.34000000000000002 112.052 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' 1899 ' ' GLN . 65.1 mtp180 -67.94 -46.14 72.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.968 -0.382 . . . . 3.48 109.968 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1896 ' ' LEU . . . . . . . . . . . . . 64.7 mt -57.67 -46.12 84.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 1.45 110.752 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -66.8 -26.21 66.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.031 -0.531 . . . . 1.1499999999999999 111.051 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 24.5 t -72.5 -39.71 67.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.219 -0.446 . . . . 1.8899999999999999 110.251 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' 1895 ' ' ARG . 47.6 mm-40 -77.44 -36.16 53.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 1.5600000000000001 110.608 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -59.31 -33.29 70.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.832 0.678 . . . . 1.0700000000000001 112.832 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.873 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 8.6 mtpm? -60.51 -60.24 11.26 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 121.055 -0.258 . . . . 2.8500000000000001 111.087 -178.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.873 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 15.6 Cg_exo -69.75 -29.36 24.01 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.877 1.718 . . . . 0.87 112.289 176.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.51 -35.36 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.772 0.32 . . . . 1.0700000000000001 111.058 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1904 ' ' ALA . . . . . 0.431 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -61.59 -46.09 91.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 1.0800000000000001 111.207 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1905 ' ' VAL . . . . . 0.411 HG11 ' O ' ' A' 1902 ' ' PRO . 9.9 p -76.67 -26.49 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.943 0.402 . . . . 1.9199999999999999 110.949 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.32 -18.24 59.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 1.1699999999999999 111.125 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -66.73 156.54 35.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.494 -0.321 . . . . 1.23 110.897 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -77.6 -17.46 57.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.051 -0.522 . . . . 2.6699999999999999 110.795 -175.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 41.4 t30 -139.7 137.82 35.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.55 . . . . 2.4900000000000002 110.221 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -54.02 -40.05 66.69 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.583 0.552 . . . . 2.2400000000000002 111.01 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1911 ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' 1915 ' ' HIS . 43.0 mt-10 -60.3 -39.04 85.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 2.4900000000000002 111.016 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' 1916 ' ' ILE . 46.0 mm -67.08 -45.34 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.209 -0.45 . . . . 1.3899999999999999 109.98 178.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1913 ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.87 -44.8 97.35 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.808 -0.71 . . . . 0.57999999999999996 111.692 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1914 ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' 1917 ' ' LYS . . . -59.67 -42.54 93.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.16 0.505 . . . . 1.22 110.234 175.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.411 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.3 t-80 -60.08 -43.01 95.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.272 -0.876 . . . . 2.1800000000000002 110.192 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.567 HD13 ' HE1' ' A' 1850 ' ' PHE . 86.3 mt -61.06 -56.22 19.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 1.1299999999999999 111.22 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' 1921 ' ' GLN . 9.9 ptpt -64.06 -38.59 91.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 1.8100000000000001 111.162 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -69.09 -30.95 69.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.581 0.229 . . . . 2.52 111.056 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.717 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 1.6 mmp_? -78.12 -24.7 47.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.849 0.357 . . . . 3.1499999999999999 110.696 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' 1916 ' ' ILE . 61.8 t -73.94 -28.88 24.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.277 0.561 . . . . 1.1200000000000001 109.494 173.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.2 mm-40 -62.0 -31.45 71.82 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.987 -0.552 . . . . 1.22 109.91 174.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.515 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 37.3 mm-40 -55.56 -53.88 50.95 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.776 -0.647 . . . . 1.49 110.349 177.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.677 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.0 mt -66.97 -29.64 69.55 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.53 -0.544 . . . . 1.3700000000000001 109.53 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1924 ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -57.04 -33.7 64.66 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.577 -0.82 . . . . 0.64000000000000001 111.978 176.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -94.71 -42.57 8.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.741 0.305 . . . . 0.85999999999999999 110.435 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -70.61 -53.11 13.13 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.167 -0.47 . . . . 0.28000000000000003 113.06 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.677 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 92.4 m -62.7 -34.81 77.91 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.194 -0.299 . . . . 1.6599999999999999 110.194 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1928 ' ' SER . . . . . 0.434 ' HB2' ' O ' ' A' 1924 ' ' GLY . 23.1 t -56.49 -50.31 72.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.302 0.572 . . . . 1.5 109.841 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.31 86.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.402 -0.817 . . . . 1.01 110.83 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.714 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.61 -53.63 55.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 1.0700000000000001 110.744 -178.255 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.6 m -64.25 -39.19 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 1.0800000000000001 110.564 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 95.1 m -62.8 -40.98 99.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.12 0.486 . . . . 1.4099999999999999 110.57 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.574 ' HE3' HG22 ' A' 1946 ' ' THR . 42.9 tptt -67.52 -39.55 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.797 -0.638 . . . . 1.6799999999999999 110.262 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -57.29 -45.55 84.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 1.03 111.157 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.49 -41.96 97.39 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.755 -0.736 . . . . 0.42999999999999999 112.182 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.06 65.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.879 0.371 . . . . 1.3100000000000001 110.874 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.08 -42.81 62.61 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.66 -0.496 . . . . 1.1200000000000001 109.66 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.7 -24.88 67.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.927 0.394 . . . . 1.46 111.5 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 99.3 m -67.59 -31.76 72.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.016 -0.538 . . . . 2.3599999999999999 110.667 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.6 m -151.8 72.06 8.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.84 -22.56 18.25 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.511 2.808 . . . . 0.72999999999999998 113.332 -176.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 47.8 m -70.15 -20.88 63.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.948 -0.569 . . . . 1.95 112.144 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.48 113.7 8.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.418 . . . . 1.1599999999999999 110.889 -174.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 41.4 t -71.04 -39.51 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.556 . . . . 1.96 110.989 -176.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.476 ' O ' ' HG3' ' A' 1949 ' ' GLU . 43.1 t80 -62.33 -50.26 72.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.5 . . . . 2.25 110.585 -176.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.574 HG22 ' HE3' ' A' 1933 ' ' LYS . 31.7 m -62.37 -40.84 97.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.081 -0.509 . . . . 1.1200000000000001 110.806 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.485 ' HG3' ' HB3' ' A' 1875 ' ' SER . 38.6 ttpt -63.4 -43.98 95.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 1.8500000000000001 110.476 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -64.57 -38.36 90.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 3.1899999999999999 110.546 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' 1945 ' ' TYR . 50.9 mt-10 -64.72 -34.4 78.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.614 -0.266 . . . . 1.53 110.984 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.55 -38.91 77.66 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.617 -0.512 . . . . 1.0900000000000001 109.617 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.766 HG23 HG23 ' A' 1872 ' ' VAL . 91.7 mt -56.56 -43.58 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.194 0.521 . . . . 1.1100000000000001 109.712 172.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' 1956 ' ' ARG . 21.2 mm-40 -62.95 -46.55 87.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.59 -0.732 . . . . 2.1099999999999999 110.744 175.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.468 ' O ' HG23 ' A' 1957 ' ' VAL . 73.3 m -57.42 -41.92 81.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.767 0.317 . . . . 1.6799999999999999 110.538 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.59 -51.41 69.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 1.0800000000000001 111.637 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.53 ' O ' ' HG3' ' A' 1959 ' ' GLU . 7.5 ptm180 -62.73 -34.28 76.85 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.768 -0.373 . . . . 3.7200000000000002 110.997 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' A' 1952 ' ' GLU . 97.6 mtt180 -66.09 -45.57 80.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.849 0.357 . . . . 3.6299999999999999 110.816 178.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.629 ' HB ' HG21 ' A' 1868 ' ' VAL . 91.7 t -65.51 -40.95 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0600000000000001 110.643 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.1 m -57.97 -36.62 72.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.362 -0.381 . . . . 1.6599999999999999 110.915 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.0 mt-10 -64.59 -35.34 80.68 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.153 0.501 . . . . 1.8600000000000001 110.376 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.515 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.1 mmtt -70.48 -40.56 73.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.758 -0.655 . . . . 1.4199999999999999 110.79 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.795 HG12 ' HB1' ' A' 1865 ' ' ALA . 22.1 t -55.39 -41.98 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.944 0.402 . . . . 1.0800000000000001 110.48 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 44.0 t -57.03 -40.24 76.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.73 -0.668 . . . . 1.54 110.623 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 65.0 m170 -76.9 -29.57 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 1.8899999999999999 110.734 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' 1960 ' ' LYS . 67.1 t -67.82 -49.91 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.111 0.482 . . . . 1.1200000000000001 109.831 175.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' 1969 ' ' GLN . 82.3 mt -59.08 -41.27 87.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.697 -0.683 . . . . 1.0800000000000001 110.495 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.41 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.791 -0.641 . . . . 1.1200000000000001 111.202 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1967 ' ' ALA . . . . . 0.411 ' HA ' ' HD1' ' A' 1915 ' ' HIS . . . -58.03 -42.19 84.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 1.0900000000000001 110.865 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.651 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -72.1 -39.55 68.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 1.1000000000000001 110.734 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1969 ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' 1965 ' ' LEU . 31.4 mm-40 -64.69 -32.71 74.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.214 -0.448 . . . . 1.7 110.53 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 1.46 111.282 -178.867 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 121.036 0.446 . . . . 1.28 110.387 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.34 -39.92 93.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.87 109.985 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 22.6 t -63.69 -38.78 92.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.996 -0.547 . . . . 1.3500000000000001 110.023 177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.558 HG22 ' CE2' ' A' 1893 ' ' TYR . 30.2 mt -66.15 -43.59 92.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.107 -0.497 . . . . 1.0900000000000001 110.235 176.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 50.9 m -60.16 -41.11 92.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 1.1399999999999999 110.757 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.25 -39.8 88.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 3.02 110.17 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.497 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -65.29 -30.57 71.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.604 . . . . 1.0600000000000001 111.511 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1835 ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' 1831 ' ' ILE . 23.9 mt -65.85 -49.03 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.351 0.596 . . . . 1.1899999999999999 109.853 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -71.21 -39.58 71.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.26 -0.882 . . . . 0.80000000000000004 111.717 -175.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1837 ' ' GLN . . . . . 0.497 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.2 pt20 -61.73 -25.78 67.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.518 -176.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' 1834 ' ' ALA . 80.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.034 0.445 . . . . 1.25 110.58 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.528 ' HE1' HD13 ' A' 1916 ' ' ILE . 91.1 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.732 0.301 . . . . 0.89000000000000001 110.233 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.6 p -60.86 -37.2 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 1.3400000000000001 111.071 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.09 -50.66 67.43 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.134 0.493 . . . . 1.71 110.458 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -70.56 -36.23 73.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.824 -0.626 . . . . 1.4299999999999999 111.39 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.64 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 59.7 tt0 -55.58 -55.85 27.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.098 0.249 . . . . 1.21 111.386 -179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.502 ' O ' ' HG3' ' A' 1859 ' ' ARG . 13.2 t -63.09 -34.3 77.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.43 -0.35 . . . . 2.1099999999999999 111.175 -175.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 26.2 m -74.4 -44.87 50.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.761 0.315 . . . . 1.1899999999999999 110.943 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 37.2 mmm -61.52 -42.39 98.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 1.1000000000000001 111.706 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.705 ' O ' ' HG3' ' A' 1862 ' ' LYS . 31.0 m -64.01 -30.15 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.348 -0.541 . . . . 1.0700000000000001 110.648 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' 1855 ' ' THR . 63.6 mtp180 -71.62 -47.85 51.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.823 0.345 . . . . 3.6299999999999999 110.434 178.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.566 ' HB ' HD13 ' A' 1896 ' ' LEU . 3.0 m -65.02 -33.73 76.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 1.1100000000000001 110.989 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.467 ' O ' HG13 ' A' 1864 ' ' ILE . . . -65.19 -42.35 93.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.372 -0.376 . . . . 1.0900000000000001 110.948 178.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.705 ' HG3' ' O ' ' A' 1858 ' ' VAL . 80.6 mttt -64.03 -35.29 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.032 0.444 . . . . 1.8799999999999999 110.039 177.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.98 92.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.565 -0.743 . . . . 1.1499999999999999 111.32 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.722 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.73 -28.03 14.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.441 -0.503 . . . . 1.0800000000000001 110.196 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.83 ' HB2' HG12 ' A' 1961 ' ' VAL . . . -69.65 -43.04 73.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.347 -0.388 . . . . 0.98999999999999999 111.469 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.3 p -66.85 -26.32 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 1.45 110.002 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 75.6 m -74.22 -47.71 33.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.61 -0.723 . . . . 1.0600000000000001 110.844 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.778 HG21 ' HB ' ' A' 1957 ' ' VAL . 7.3 p -69.38 -32.38 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.723 0.297 . . . . 1.05 111.063 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -69.53 -26.2 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.325 0.583 . . . . 0.91000000000000003 109.431 175.628 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' 1869 ' ' GLN . 7.5 tp10 -77.83 -33.09 52.51 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 116.078 -0.51 . . . . 0.56999999999999995 109.685 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.51 ' SD ' HD21 ' A' 1882 ' ' LEU . 5.6 mmt -54.14 -54.93 32.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.888 -0.596 . . . . 1.25 111.358 177.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.647 HG23 HG22 ' A' 1951 ' ' ILE . 11.9 p -59.32 -36.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.516 0.674 . . . . 1.27 110.969 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 85.9 m -76.28 -46.85 25.98 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.125 -0.943 . . . . 1.1499999999999999 111.118 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 7.3 mmpt? -77.21 -25.38 51.63 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 116.189 -0.459 . . . . 1.97 111.819 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.433 ' O ' ' HD2' ' A' 1947 ' ' LYS . 20.6 t -63.01 -31.26 72.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.32 0.581 . . . . 1.74 110.036 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -80.0 -27.5 39.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.568 -0.742 . . . . 0.76000000000000001 111.622 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 11.5 p -109.34 -45.54 3.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.994 0.738 . . . . 1.71 112.994 -172.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1878 ' ' SER . . . . . 0.421 ' HB3' ' HG3' ' A' 1881 ' ' GLU . 69.5 m -140.82 91.29 9.25 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.336 -0.393 . . . . 1.4299999999999999 111.07 -169.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.8 -27.1 37.96 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.549 2.166 . . . . 1.02 113.326 -174.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.71 -9.8 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 2.2400000000000002 111.194 -177.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' 1885 ' ' LEU . 31.0 mt-10 -82.14 -10.26 59.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 1.8899999999999999 110.577 174.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.51 HD21 ' SD ' ' A' 1871 ' ' MET . 95.8 mt -72.63 -31.13 64.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.491 . . . . 1.1399999999999999 111.639 -176.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1883 ' ' GLY . . . . . 0.407 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -60.59 -55.36 30.38 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.941 -0.647 . . . . 0.42999999999999999 113.174 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' 1883 ' ' GLY . 9.9 Cg_endo -56.39 -35.81 96.62 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.531 2.154 . . . . 1.0 112.371 174.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' 1881 ' ' GLU . 80.2 mt -70.93 -43.06 68.99 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.567 -0.288 . . . . 1.0700000000000001 110.466 179.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.71 -36.49 69.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.264 -0.426 . . . . 1.1000000000000001 109.874 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -71.78 -44.22 64.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.099 -0.5 . . . . 1.4299999999999999 110.687 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.51 -47.85 79.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 1.0700000000000001 110.58 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.659 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 44.4 tp -54.66 -43.25 72.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 1.05 109.889 176.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1890 ' ' THR . . . . . 0.465 HG21 HG13 ' A' 1831 ' ' ILE . 51.8 m -61.79 -49.61 75.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.555 -0.748 . . . . 1.0800000000000001 111.382 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1891 ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' 1895 ' ' ARG . 81.5 p -67.7 -48.46 66.47 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.904 0.383 . . . . 1.72 111.29 -173.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1892 ' ' ASP . . . . . 0.433 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 7.4 m-20 -62.78 -37.6 87.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.973 -0.558 . . . . 0.80000000000000004 111.273 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1893 ' ' TYR . . . . . 0.558 ' CE2' HG22 ' A' 1831 ' ' ILE . 50.9 t80 -63.02 -44.69 95.27 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.762 -0.375 . . . . 1.05 110.488 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.56 -42.4 90.25 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.84 -0.695 . . . . 0.34000000000000002 111.72 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 74.4 mtt180 -61.98 -49.98 73.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.799 0.333 . . . . 3.48 110.493 177.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.566 HD13 ' HB ' ' A' 1860 ' ' THR . 21.2 tp -56.79 -51.47 68.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.826 -0.625 . . . . 1.45 110.892 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.17 -30.6 71.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.34 -0.391 . . . . 1.1499999999999999 111.716 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 49.5 m -73.28 -32.3 64.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.851 0.357 . . . . 1.8899999999999999 110.755 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -79.36 -29.3 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.995 -0.548 . . . . 1.5600000000000001 110.825 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.72 97.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.688 -0.687 . . . . 1.0700000000000001 112.75 -174.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.512 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 5.0 tmtt? -65.12 -54.62 32.17 Favored Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 121.002 -0.279 . . . . 2.8500000000000001 111.405 -176.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 32.6 Cg_exo -61.01 -30.18 89.26 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.038 1.825 . . . . 0.87 112.266 176.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.33 97.4 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.144 0.497 . . . . 1.0700000000000001 110.251 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1904 ' ' ALA . . . . . 0.433 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -63.09 -37.55 87.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.339 -0.846 . . . . 1.0800000000000001 111.142 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 46.7 t -75.52 -26.63 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.806 -0.634 . . . . 1.9199999999999999 110.464 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -84.06 -12.65 54.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 1.1699999999999999 111.196 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.05 147.11 52.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.215 -0.448 . . . . 1.23 110.873 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.97 -40.8 83.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 2.6699999999999999 110.432 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.667 ' HB3' HG12 ' A' 1912 ' ' ILE . 47.1 t-20 -106.16 137.05 44.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.722 -0.672 . . . . 2.4900000000000002 109.941 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.33 -38.23 90.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.294 -0.412 . . . . 2.2400000000000002 109.904 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.8 -35.67 77.06 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.884 0.373 . . . . 2.4900000000000002 110.629 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.667 HG12 ' HB3' ' A' 1909 ' ' ASN . 34.8 mm -66.43 -43.59 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.816 -0.629 . . . . 1.3899999999999999 109.954 178.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1913 ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -64.62 -46.62 89.5 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.753 -0.736 . . . . 0.57999999999999996 111.885 176.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -55.8 -41.12 73.68 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.06 0.457 . . . . 1.22 110.352 176.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' A' 1919 ' ' ARG . 3.4 t-80 -59.76 -46.15 90.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.283 -0.871 . . . . 2.1800000000000002 110.609 -178.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.528 HD13 ' HE1' ' A' 1850 ' ' PHE . 79.7 mt -59.29 -54.67 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 1.1299999999999999 110.908 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -59.42 -47.34 85.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 1.8100000000000001 110.872 -177.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 48.5 m170 -65.31 -34.46 78.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.521 -0.763 . . . . 2.52 111.792 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' 1915 ' ' HIS . 6.6 mmp_? -73.02 -31.73 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.035 -0.266 . . . . 3.1499999999999999 110.78 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' 1916 ' ' ILE . 93.0 t -67.1 -32.18 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.092 0.472 . . . . 1.1200000000000001 110.294 176.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.22 -22.57 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 1.22 110.977 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.531 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 6.5 mm-40 -57.45 -43.22 83.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.473 -0.566 . . . . 1.49 109.473 171.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 52.3 mt -73.37 -26.85 61.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.648 -0.706 . . . . 1.3700000000000001 109.714 173.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.5 -33.43 58.92 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.585 -0.817 . . . . 0.64000000000000001 111.455 173.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -93.85 -39.21 10.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 0.85999999999999999 110.55 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.0 -53.63 9.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.192 -0.528 . . . . 0.28000000000000003 113.493 -176.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.659 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 22.3 t -62.26 -44.44 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.729 0.265 . . . . 1.6599999999999999 110.37 -175.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 15.3 m -53.69 -51.29 63.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 1.5 110.63 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.49 98.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.689 -0.687 . . . . 1.01 111.096 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.628 HD13 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -63.54 -52.56 60.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 1.0700000000000001 110.808 -178.483 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 28.2 m -66.87 -31.93 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.697 0.284 . . . . 1.0800000000000001 110.864 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 97.2 m -65.73 -43.94 87.53 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.23 0.538 . . . . 1.4099999999999999 110.113 174.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.622 ' HE3' HG21 ' A' 1946 ' ' THR . 26.2 tptt -62.71 -45.15 94.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.467 -0.788 . . . . 1.6799999999999999 110.328 -178.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.64 84.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.859 -0.61 . . . . 1.03 111.233 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.53 -45.57 95.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.867 -0.683 . . . . 0.42999999999999999 112.009 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.46 -28.96 59.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 1.3100000000000001 110.889 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.45 HD23 ' HB2' ' A' 1947 ' ' LYS . 2.7 tm? -71.83 -35.0 69.77 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.052 -0.522 . . . . 1.1200000000000001 109.666 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -74.2 -25.95 59.98 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.671 -0.412 . . . . 1.46 110.932 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 37.5 t -69.6 -30.55 68.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.055 0.455 . . . . 2.3599999999999999 109.794 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 49.5 m -147.05 77.32 10.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 1.0 109.825 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.09 -3.41 8.45 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.142 2.562 . . . . 0.72999999999999998 112.725 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 8.3 t -94.14 -5.58 46.85 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.696 -0.684 . . . . 1.95 110.555 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.16 102.38 11.05 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.959 -0.386 . . . . 1.1599999999999999 109.959 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 12.2 m -68.08 -34.89 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.08 -0.509 . . . . 1.96 112.235 -175.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 73.4 t80 -64.72 -49.79 69.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.439 -0.346 . . . . 2.25 110.925 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.622 HG21 ' HE3' ' A' 1933 ' ' LYS . 47.3 m -65.15 -36.17 83.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.342 -0.39 . . . . 1.1200000000000001 110.804 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.45 ' HB2' HD23 ' A' 1937 ' ' LEU . 38.1 ttpt -63.52 -42.37 98.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.002 -0.545 . . . . 1.8500000000000001 110.155 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.34 -40.79 97.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 3.1899999999999999 110.619 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.446 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 46.4 mt-10 -65.81 -31.57 72.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.449 -0.341 . . . . 1.53 111.177 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.1 -37.8 81.58 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.621 -0.511 . . . . 1.0900000000000001 109.621 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.647 HG22 HG23 ' A' 1872 ' ' VAL . 86.1 mt -58.2 -43.5 85.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.06 -0.518 . . . . 1.1100000000000001 109.706 174.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' 1956 ' ' ARG . 20.6 mm-40 -61.76 -47.5 84.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.739 -0.664 . . . . 2.1099999999999999 110.744 174.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.466 ' O ' HG21 ' A' 1957 ' ' VAL . 76.6 m -56.47 -44.16 80.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.671 0.272 . . . . 1.6799999999999999 110.884 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.31 70.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 1.0800000000000001 111.892 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' 1952 ' ' GLU . 11.7 ptm180 -62.63 -34.36 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.053 -0.259 . . . . 3.7200000000000002 110.952 -178.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' 1952 ' ' GLU . 98.9 mtt180 -65.71 -47.06 76.66 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.465 -0.334 . . . . 3.6299999999999999 110.384 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.778 ' HB ' HG21 ' A' 1868 ' ' VAL . 96.5 t -62.6 -44.05 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 1.0600000000000001 110.421 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 41.6 m -55.76 -36.32 67.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.98 -0.555 . . . . 1.6599999999999999 111.464 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' 1955 ' ' ARG . 41.5 mt-10 -74.83 -34.46 62.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.929 0.395 . . . . 1.8600000000000001 111.102 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.531 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.8 mmtt -67.3 -34.68 77.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.454 -0.339 . . . . 1.4199999999999999 110.703 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.83 HG12 ' HB2' ' A' 1865 ' ' ALA . 34.7 t -54.34 -48.65 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 O-C-N 123.34 0.4 . . . . 1.0800000000000001 111.22 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 29.7 m -59.48 -36.07 75.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 1.54 110.968 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 77.9 m80 -72.93 -33.73 66.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 1.8899999999999999 110.835 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' 1960 ' ' LYS . 58.9 t -68.01 -45.74 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.854 -0.425 . . . . 1.1200000000000001 109.854 175.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' 1861 ' ' ALA . 65.9 mt -56.89 -46.52 81.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.714 -0.676 . . . . 1.0800000000000001 111.245 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.61 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 1.1200000000000001 111.863 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -62.31 -25.89 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.417 . . . . 1.0900000000000001 111.214 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.64 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -74.69 -50.07 18.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.404 . . . . 1.1000000000000001 111.204 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -70.81 -15.75 62.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.869 0.366 . . . . 1.7 110.82 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.039 -0.528 . . . . 1.46 110.298 175.494 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 121.005 0.431 . . . . 1.28 110.052 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.52 -31.0 67.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.027 -0.533 . . . . 0.87 110.121 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 74.6 m -59.65 -32.99 70.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.746 -0.661 . . . . 1.3500000000000001 110.694 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.579 HG22 ' CE2' ' A' 1893 ' ' TYR . 58.6 mt -69.61 -44.71 79.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.986 0.422 . . . . 1.0900000000000001 110.125 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 10.4 m -62.85 -40.17 96.63 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.93 -0.577 . . . . 1.1399999999999999 110.64 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.41 -40.97 96.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 3.02 110.191 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.506 ' HB3' ' CB ' ' A' 1897 ' ' ALA . . . -60.73 -32.0 71.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.78 . . . . 1.0600000000000001 111.352 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1835 ' ' ILE . . . . . 0.479 ' HA ' HE22 ' A' 1921 ' ' GLN . 51.9 mt -65.56 -54.92 22.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.078 0.466 . . . . 1.1899999999999999 110.155 175.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -61.6 -46.68 88.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.589 -0.732 . . . . 0.80000000000000004 111.786 -175.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -56.93 -31.28 64.79 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.364 0.505 . . . . 1.0 112.364 -173.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' 1897 ' ' ALA . 80.3 mt . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 111.665 0.246 . . . . 1.25 111.665 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1850 ' ' PHE . . . . . 0.575 ' HE1' HD11 ' A' 1916 ' ' ILE . 84.6 t80 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.633 0.254 . . . . 0.89000000000000001 110.728 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -59.15 -35.2 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.057 -0.52 . . . . 1.3400000000000001 111.601 -177.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.57 -50.64 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.252 0.549 . . . . 1.71 110.872 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.7 -31.03 56.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.851 -0.613 . . . . 1.4299999999999999 110.805 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.663 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 51.5 tt0 -56.75 -57.27 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 1.21 111.121 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1855 ' ' THR . . . . . 0.511 ' O ' ' HG3' ' A' 1859 ' ' ARG . 14.9 t -62.98 -31.04 72.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 2.1099999999999999 110.631 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 90.2 m -72.8 -43.96 62.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.286 -0.416 . . . . 1.1899999999999999 111.394 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 81.4 mtp -71.34 -38.82 71.63 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.996 0.369 . . . . 1.1000000000000001 111.996 -176.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.655 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.5 m -61.87 -31.41 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.519 -0.472 . . . . 1.0700000000000001 110.77 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' 1855 ' ' THR . 68.7 mtt180 -70.34 -44.12 68.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.844 0.354 . . . . 3.6299999999999999 110.457 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.585 ' HB ' HD21 ' A' 1896 ' ' LEU . 23.5 m -66.86 -33.17 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.303 -0.408 . . . . 1.1100000000000001 110.921 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' 1864 ' ' ILE . . . -61.78 -42.19 98.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 1.0900000000000001 110.541 175.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.655 ' HG3' ' O ' ' A' 1858 ' ' VAL . 59.4 mttm -62.38 -31.94 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 1.8799999999999999 110.414 176.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.51 72.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.763 -0.653 . . . . 1.1499999999999999 111.249 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.755 HD11 HG23 ' A' 1961 ' ' VAL . 1.4 pp -75.77 -29.8 20.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.393 -0.523 . . . . 1.0800000000000001 109.994 178.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.784 ' HB2' HG13 ' A' 1961 ' ' VAL . . . -70.22 -44.49 68.47 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 116.269 -0.423 . . . . 0.98999999999999999 111.614 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.409 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.8 p -64.64 -26.49 40.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.368 0.604 . . . . 1.45 110.087 177.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 98.8 m -74.39 -49.95 20.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 1.0600000000000001 111.159 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.777 HG21 ' HB ' ' A' 1957 ' ' VAL . 5.1 p -65.96 -32.65 59.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.827 0.346 . . . . 1.05 111.035 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.613 ' O ' HG13 ' A' 1872 ' ' VAL . 0.0 OUTLIER -69.96 -27.91 65.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.217 0.532 . . . . 0.91000000000000003 109.719 176.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.9 tp10 -78.09 -35.92 48.78 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.87 -0.418 . . . . 0.56999999999999995 109.87 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.465 ' HE2' HD23 ' A' 1930 ' ' LEU . 48.5 mmm -60.85 -34.34 74.44 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.15 -0.477 . . . . 1.25 111.513 -178.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' 1869 ' ' GLN . 9.5 p -70.04 -34.75 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.483 0.659 . . . . 1.27 110.301 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 84.8 m -80.97 -42.52 21.11 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.617 -0.72 . . . . 1.1499999999999999 110.98 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.754 ' HE3' ' HA ' ' A' 1874 ' ' LYS . 0.0 OUTLIER -70.67 -32.65 69.98 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 116.151 -0.477 . . . . 1.97 112.159 -175.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1875 ' ' SER . . . . . 0.424 ' HA ' HD12 ' A' 1882 ' ' LEU . 10.1 p -62.39 -26.46 68.49 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.49 0.662 . . . . 1.74 110.58 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -82.57 -34.78 27.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.346 -0.843 . . . . 0.76000000000000001 112.035 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 7.6 p -108.88 -35.95 6.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.253 0.834 . . . . 1.71 113.253 -170.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 72.6 m -150.0 85.86 5.43 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.42 -0.355 . . . . 1.4299999999999999 110.507 -171.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.19 -29.43 86.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.574 2.182 . . . . 1.02 112.165 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.22 -24.72 64.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.858 -0.61 . . . . 2.2400000000000002 111.181 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.414 ' O ' ' HD2' ' A' 1884 ' ' PRO . 33.7 mm-40 -74.32 -17.07 60.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 1.8899999999999999 111.388 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' 1875 ' ' SER . 92.5 mt -68.78 -23.68 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.101 -0.5 . . . . 1.1399999999999999 111.219 -178.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.42 17.95 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.63 -0.795 . . . . 0.42999999999999999 112.877 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1884 ' ' PRO . . . . . 0.414 ' HD2' ' O ' ' A' 1881 ' ' GLU . 36.3 Cg_exo -59.96 -33.44 95.64 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.522 2.148 . . . . 1.0 112.194 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1885 ' ' LEU . . . . . 0.402 ' HB2' ' SD ' ' A' 1871 ' ' MET . 76.2 mt -73.5 -46.12 49.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.266 -0.425 . . . . 1.0700000000000001 110.95 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.39 -31.23 65.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.145 0.498 . . . . 1.1000000000000001 109.679 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -70.32 -50.78 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.559 -0.746 . . . . 1.4299999999999999 110.521 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -64.58 -42.48 95.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 1.0700000000000001 110.548 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.445 HD13 ' HB ' ' A' 1864 ' ' ILE . 47.3 tp -56.34 -42.68 78.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 1.05 109.763 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 37.3 m -64.14 -49.15 73.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.413 -0.812 . . . . 1.0800000000000001 111.153 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 17.3 t -65.24 -53.05 50.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.94 -0.573 . . . . 1.72 111.72 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.52 -35.16 79.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.80000000000000004 111.208 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1893 ' ' TYR . . . . . 0.601 ' HH ' ' CA ' ' A' 1924 ' ' GLY . 58.0 t80 -63.77 -41.21 98.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.764 0.316 . . . . 1.05 110.297 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -65.47 -30.6 77.92 Favored Glycine 0 CA--C 1.507 -0.452 0 N-CA-C 110.904 -0.878 . . . . 0.34000000000000002 110.904 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' 1899 ' ' GLN . 6.7 ttp180 -72.14 -40.23 68.19 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.917 -0.642 . . . . 3.48 110.479 175.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.585 HD21 ' HB ' ' A' 1860 ' ' THR . 14.5 mt -63.85 -40.9 97.66 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.827 -0.349 . . . . 1.45 110.497 175.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1897 ' ' ALA . . . . . 0.506 ' CB ' ' HB3' ' A' 1834 ' ' ALA . . . -63.34 -32.41 73.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.744 -0.662 . . . . 1.1499999999999999 112.024 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 10.0 p -80.36 -44.5 19.35 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.939 -0.304 . . . . 1.8899999999999999 110.835 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1899 ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' 1895 ' ' ARG . 19.2 mt-30 -65.1 -24.12 67.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.464 -0.334 . . . . 1.5600000000000001 111.722 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -65.74 -27.96 68.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.431 -0.35 . . . . 1.0700000000000001 111.628 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.505 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 97.0 mttt -64.37 -59.7 10.26 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 116.644 -0.253 . . . . 2.8500000000000001 111.33 -179.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.505 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 36.1 Cg_endo -66.4 -30.0 44.89 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.743 1.629 . . . . 0.87 112.153 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.17 97.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.014 0.435 . . . . 1.0700000000000001 110.555 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.13 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.625 . . . . 1.0800000000000001 111.006 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 49.0 t -75.55 -32.9 25.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 1.9199999999999999 111.037 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -75.12 -10.32 59.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 1.1699999999999999 111.084 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -76.13 141.67 41.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 1.23 110.379 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -78.81 -11.74 60.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.204 0.526 . . . . 2.6699999999999999 110.735 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.628 ' HB2' HG12 ' A' 1912 ' ' ILE . 2.1 m-20 -122.35 140.92 52.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.508 . . . . 2.4900000000000002 109.921 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -65.39 -39.31 92.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.757 -0.46 . . . . 2.2400000000000002 109.757 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1911 ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' 1911 ' ' GLU . 2.4 mp0 -59.02 -38.95 80.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 2.4900000000000002 110.813 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.628 HG12 ' HB2' ' A' 1909 ' ' ASN . 42.3 mm -68.74 -44.42 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.015 -0.539 . . . . 1.3899999999999999 110.281 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.07 -44.79 93.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.57999999999999996 111.687 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -56.09 -44.02 78.62 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.224 0.535 . . . . 1.22 110.383 175.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1915 ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' 1911 ' ' GLU . 3.1 t-80 -61.61 -42.44 98.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.087 -0.96 . . . . 2.1800000000000002 110.528 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.575 HD11 ' HE1' ' A' 1850 ' ' PHE . 85.8 mt -62.27 -55.39 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 1.1299999999999999 110.803 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.596 ' O ' ' HG2' ' A' 1921 ' ' GLN . 50.2 mtmt -59.47 -44.74 92.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 1.8100000000000001 110.981 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1918 ' ' HIS . . . . . 0.501 ' HA ' ' CG ' ' A' 1921 ' ' GLN . 2.0 m-70 -75.19 -25.48 58.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.53 0.567 . . . . 2.52 112.53 -175.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.465 ' HA ' ' HD3' ' A' 1919 ' ' ARG . 51.9 mmt-85 -74.93 -28.77 60.73 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.367 -0.533 . . . . 3.1499999999999999 110.787 174.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1920 ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' 1916 ' ' ILE . 61.0 t -68.5 -34.0 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.556 -0.535 . . . . 1.1200000000000001 109.556 173.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' 1917 ' ' LYS . 20.8 mm-40 -57.75 -32.03 67.06 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.773 -0.648 . . . . 1.22 110.575 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.608 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 18.0 mm-40 -59.98 -47.21 86.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.654 -0.703 . . . . 1.49 110.461 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1923 ' ' LEU . . . . . 0.68 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 16.5 mt -70.56 -27.85 64.45 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.285 -0.635 . . . . 1.3700000000000001 109.285 176.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1924 ' ' GLY . . . . . 0.601 ' CA ' ' HH ' ' A' 1893 ' ' TYR . . . -55.93 -34.29 61.48 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.867 -0.683 . . . . 0.64000000000000001 112.133 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -89.67 -46.2 8.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.768 0.318 . . . . 0.85999999999999999 110.466 176.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.06 -56.73 12.82 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.063 -0.589 . . . . 0.28000000000000003 113.12 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.68 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 99.2 m -61.52 -36.27 80.07 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.669 0.388 . . . . 1.6599999999999999 111.01 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 12.7 t -62.08 -49.73 74.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 1.5 110.019 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.53 86.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 1.01 110.741 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.705 HD13 HG23 ' A' 1868 ' ' VAL . 0.8 OUTLIER -62.2 -53.36 56.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.78 -0.646 . . . . 1.0700000000000001 111.362 -179.268 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 18.9 m -66.38 -31.11 52.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.965 0.412 . . . . 1.0800000000000001 110.644 -177.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 88.4 m -69.41 -41.28 76.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.009 -0.541 . . . . 1.4099999999999999 110.574 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.484 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.5 tptt -71.84 -35.2 69.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.587 . . . . 1.6799999999999999 110.829 -176.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -58.04 -37.14 73.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 1.03 111.5 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.46 98.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.8 -0.715 . . . . 0.42999999999999999 111.848 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.32 -30.43 62.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.037 0.446 . . . . 1.3100000000000001 110.605 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.413 HD21 ' HB2' ' A' 1947 ' ' LYS . 2.3 tm? -71.59 -37.34 71.0 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.021 -0.536 . . . . 1.1200000000000001 109.74 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -70.99 -26.08 62.98 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.481 -0.488 . . . . 1.46 110.975 175.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 11.5 t -67.69 -32.27 72.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.204 -0.453 . . . . 2.3599999999999999 109.822 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 73.9 m -150.77 81.63 6.34 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.095 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.07 -18.67 59.32 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.311 2.674 . . . . 0.72999999999999998 112.855 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 48.2 m -83.39 -12.94 55.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.002 -0.544 . . . . 1.95 111.753 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.4 108.76 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.104 0.478 . . . . 1.1599999999999999 110.539 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 14.7 m -63.43 -38.54 82.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.615 -0.72 . . . . 1.96 111.99 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -69.9 -46.95 64.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.49 -0.323 . . . . 2.25 110.966 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 35.7 m -60.22 -41.65 93.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 1.1200000000000001 110.344 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1947 ' ' LYS . . . . . 0.457 ' O ' HG13 ' A' 1951 ' ' ILE . 38.3 ttpt -63.78 -46.21 86.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.815 -0.63 . . . . 1.8500000000000001 110.291 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1948 ' ' LYS . . . . . 0.575 ' O ' ' HG2' ' A' 1952 ' ' GLU . 54.6 tttm -56.15 -48.46 76.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.861 -0.609 . . . . 3.1899999999999999 111.059 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.484 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 52.3 mt-10 -61.79 -35.26 77.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.369 . . . . 1.53 111.483 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1950 ' ' LEU . . . . . 0.416 ' HG ' HD21 ' A' 1930 ' ' LEU . 8.9 tt -68.49 -36.41 78.89 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.72 -0.474 . . . . 1.0900000000000001 109.72 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.458 HG21 HG21 ' A' 1872 ' ' VAL . 85.6 mt -62.99 -41.38 92.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 1.1100000000000001 110.03 174.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' 1948 ' ' LYS . 58.4 mm-40 -57.82 -46.73 84.29 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.541 -0.541 . . . . 2.1099999999999999 109.541 174.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.511 ' O ' HG23 ' A' 1957 ' ' VAL . 69.8 m -58.94 -46.85 86.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.642 -0.708 . . . . 1.6799999999999999 110.9 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -56.54 -46.04 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 1.0800000000000001 111.536 -178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.49 ' O ' ' HG2' ' A' 1959 ' ' GLU . 64.4 mtt180 -60.88 -45.52 94.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.553 -0.294 . . . . 3.7200000000000002 110.609 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.594 ' O ' ' HG2' ' A' 1960 ' ' LYS . 22.5 mtm180 -60.34 -41.47 93.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.36 -0.382 . . . . 3.6299999999999999 111.062 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.777 ' HB ' HG21 ' A' 1868 ' ' VAL . 53.5 t -65.02 -47.2 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.901 0.381 . . . . 1.0600000000000001 110.654 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 16.0 m -57.36 -35.66 70.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 1.6599999999999999 111.003 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' 1955 ' ' ARG . 5.7 mm-40 -70.53 -29.34 65.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.28 0.562 . . . . 1.8600000000000001 111.39 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.608 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.2 mmtt -76.31 -35.28 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.167 -0.469 . . . . 1.4199999999999999 110.73 -178.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.784 HG13 ' HB2' ' A' 1865 ' ' ALA . 27.4 t -55.1 -45.85 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 O-C-N 123.224 0.327 . . . . 1.0800000000000001 111.388 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 41.4 t -58.24 -36.42 73.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.979 0.419 . . . . 1.54 110.429 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 67.1 m80 -77.36 -26.98 52.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.471 . . . . 1.8899999999999999 111.102 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' 1960 ' ' LYS . 57.7 t -73.13 -45.16 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.699 -0.482 . . . . 1.1200000000000001 109.699 174.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.53 ' O ' ' HG2' ' A' 1969 ' ' GLN . 71.2 mt -59.76 -46.22 89.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.787 -0.642 . . . . 1.0800000000000001 110.418 176.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.26 -24.75 65.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 1.1200000000000001 111.469 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1967 ' ' ALA . . . . . 0.433 ' HB1' ' HG3' ' A' 1919 ' ' ARG . . . -62.59 -41.24 98.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.376 . . . . 1.0900000000000001 110.626 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.663 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -71.49 -38.02 71.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.07 -0.513 . . . . 1.1000000000000001 110.814 177.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1969 ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' 1965 ' ' LEU . 75.5 mm-40 -64.57 -19.19 65.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 1.7 111.107 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 1.46 111.358 -179.852 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.234 0.289 0 CA-C-O 121.343 0.592 . . . . 1.28 109.99 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.62 -38.65 84.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.87 109.649 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 18.9 m -57.81 -45.83 85.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.317 -0.856 . . . . 1.3500000000000001 110.452 175.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.411 HG21 ' OG ' ' A' 1928 ' ' SER . 61.5 mt -58.61 -43.89 88.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.651 -0.704 . . . . 1.0900000000000001 110.613 177.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 29.3 m -61.87 -44.23 97.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 1.1399999999999999 110.973 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -64.82 -37.73 88.6 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.837 0.351 . . . . 3.02 111.044 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1834 ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -62.44 -31.61 72.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.929 -0.578 . . . . 1.0600000000000001 111.085 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1835 ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' 1831 ' ' ILE . 67.3 mt -66.3 -46.19 87.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.943 -0.572 . . . . 1.1899999999999999 110.232 174.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -67.99 -42.52 80.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.659 -0.7 . . . . 0.80000000000000004 112.196 -174.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -58.52 -30.62 67.22 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.132 0.492 . . . . 1.0 111.623 -176.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1838 ' ' LEU . . . . . 0.506 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 81.0 mt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.237 -0.438 . . . . 1.25 111.333 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 80.3 t80 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 111.497 0.184 . . . . 0.89000000000000001 111.497 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1851 ' ' VAL . . . . . 0.415 ' HA ' ' HB3' ' A' 1854 ' ' GLN . 10.0 p -56.28 -30.73 30.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.457 -0.338 . . . . 1.3400000000000001 111.191 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.72 -40.89 98.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 1.71 110.623 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -76.15 -40.23 53.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.575 -0.528 . . . . 1.4299999999999999 109.575 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1854 ' ' GLN . . . . . 0.627 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 47.6 tt0 -54.3 -51.79 63.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.134 -0.939 . . . . 1.21 111.289 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 4.9 p -61.29 -40.32 93.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 2.1099999999999999 111.324 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 17.5 m -63.57 -37.69 88.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.064 0.459 . . . . 1.1899999999999999 110.464 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 69.7 mtp -72.44 -51.1 21.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 1.1000000000000001 111.871 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1858 ' ' VAL . . . . . 0.705 ' O ' ' HG3' ' A' 1862 ' ' LYS . 29.7 m -58.87 -39.26 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.727 -0.389 . . . . 1.0700000000000001 111.179 -175.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1859 ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' 1859 ' ' ARG . 40.7 mtp180 -67.56 -37.11 82.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 3.6299999999999999 110.922 178.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1860 ' ' THR . . . . . 0.589 ' HB ' HD21 ' A' 1896 ' ' LEU . 63.6 m -69.96 -35.5 74.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.978 0.418 . . . . 1.1100000000000001 110.516 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1861 ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.07 -42.95 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 1.0900000000000001 110.491 176.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1862 ' ' LYS . . . . . 0.705 ' HG3' ' O ' ' A' 1858 ' ' VAL . 80.5 mttt -67.22 -26.43 66.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.87 0.367 . . . . 1.8799999999999999 110.295 176.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1863 ' ' ALA . . . . . 0.434 ' O ' HG11 ' A' 1866 ' ' VAL . . . -71.07 -42.25 69.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 1.1499999999999999 110.886 178.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1864 ' ' ILE . . . . . 0.615 HD11 HG22 ' A' 1961 ' ' VAL . 1.6 pp -73.06 -27.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.703 -0.48 . . . . 1.0800000000000001 109.703 176.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1865 ' ' ALA . . . . . 0.757 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.34 -40.99 81.4 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.97 -0.559 . . . . 0.98999999999999999 111.493 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1866 ' ' VAL . . . . . 0.434 HG11 ' O ' ' A' 1863 ' ' ALA . 12.8 p -68.83 -27.49 35.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.354 -0.539 . . . . 1.45 110.121 178.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1867 ' ' THR . . . . . 0.548 ' O ' ' HG3' ' A' 1871 ' ' MET . 99.1 m -70.79 -51.93 23.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 1.0600000000000001 110.791 174.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1868 ' ' VAL . . . . . 0.748 HG22 ' HB ' ' A' 1957 ' ' VAL . 7.3 p -63.79 -36.66 77.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.717 0.294 . . . . 1.05 111.024 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1869 ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -68.51 -26.2 65.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.291 0.567 . . . . 0.91000000000000003 109.794 177.67 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1870 ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' 1869 ' ' GLN . 5.4 tp10 -77.17 -38.5 51.61 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.56999999999999995 109.803 176.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1871 ' ' MET . . . . . 0.548 ' HG3' ' O ' ' A' 1867 ' ' THR . 81.8 mtp -64.71 -41.8 95.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 1.25 110.923 -177.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1872 ' ' VAL . . . . . 0.496 HG23 HG22 ' A' 1951 ' ' ILE . 11.3 p -63.65 -30.75 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 1.27 110.456 178.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 99.0 m -80.99 -55.19 4.95 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.143 -0.935 . . . . 1.1499999999999999 111.258 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1874 ' ' LYS . . . . . 0.755 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 9.1 mmpt? -67.78 -28.13 67.35 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 113.068 0.766 . . . . 1.97 113.068 -172.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 7.2 p -57.9 -25.11 60.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.978 0.354 . . . . 1.74 111.777 -176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -69.26 -54.15 16.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.053 -0.521 . . . . 0.76000000000000001 111.623 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 1.9 p -100.99 -30.14 11.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.704 0.631 . . . . 1.71 112.704 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1878 ' ' SER . . . . . 0.464 ' HB2' ' HG2' ' A' 1881 ' ' GLU . 13.1 p -135.2 82.98 40.09 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.816 0.341 . . . . 1.4299999999999999 111.13 -173.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.38 -23.67 37.8 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.549 2.166 . . . . 1.02 112.428 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.59 -23.19 61.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.325 -0.398 . . . . 2.2400000000000002 111.337 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1881 ' ' GLU . . . . . 0.464 ' HG2' ' HB2' ' A' 1878 ' ' SER . 25.2 mm-40 -76.6 -10.45 59.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.961 0.41 . . . . 1.8899999999999999 111.141 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1882 ' ' LEU . . . . . 0.436 HD12 HD13 ' A' 1937 ' ' LEU . 94.1 mt -69.27 -28.01 65.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 1.1399999999999999 111.207 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -63.68 -56.44 19.19 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.858 -0.687 . . . . 0.42999999999999999 113.436 -177.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.2 -32.32 90.58 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.258 1.972 . . . . 1.0 112.259 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.1 -41.79 63.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.373 -0.376 . . . . 1.0700000000000001 110.913 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -59.52 -32.66 70.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.291 0.567 . . . . 1.1000000000000001 109.737 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.08 -47.37 65.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.425 -0.807 . . . . 1.4299999999999999 111.418 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -69.56 -42.66 74.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.567 -0.288 . . . . 1.0700000000000001 110.905 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1889 ' ' LEU . . . . . 0.555 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 44.0 tp -54.48 -39.97 68.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 1.05 109.894 178.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 82.8 m -68.28 -49.09 62.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.541 -0.754 . . . . 1.0800000000000001 111.731 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 72.9 p -67.14 -47.19 71.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.267 0.556 . . . . 1.72 111.29 -173.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -32.62 73.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.283 -0.871 . . . . 0.80000000000000004 110.862 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.36 -42.44 98.71 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.98 0.419 . . . . 1.05 109.929 171.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.71 -29.37 61.29 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.613 -0.722 . . . . 0.34000000000000002 112.351 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1895 ' ' ARG . . . . . 0.419 ' HB2' HG21 ' A' 1860 ' ' THR . 68.0 mtt180 -65.76 -48.73 70.87 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.398 0.618 . . . . 3.48 109.608 178.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1896 ' ' LEU . . . . . 0.589 HD21 ' HB ' ' A' 1860 ' ' THR . 40.6 mt -61.74 -38.84 89.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.618 -0.719 . . . . 1.45 110.754 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1897 ' ' ALA . . . . . 0.473 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -66.34 -26.12 67.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.752 -0.658 . . . . 1.1499999999999999 111.942 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 7.6 p -91.92 -31.43 15.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.823 -0.351 . . . . 1.8899999999999999 111.31 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -77.42 -30.16 53.35 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.805 0.298 . . . . 1.5600000000000001 111.805 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.62 79.15 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.97 0.729 . . . . 1.0700000000000001 112.97 -172.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1901 ' ' LYS . . . . . 0.614 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 56.4 mtpt -67.96 -53.59 19.66 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 120.865 -0.334 . . . . 2.8500000000000001 111.725 -177.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1902 ' ' PRO . . . . . 0.614 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 45.0 Cg_exo -59.05 -34.65 99.01 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.975 1.784 . . . . 0.87 112.208 173.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.53 98.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.867 0.365 . . . . 1.0700000000000001 110.695 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.15 84.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.638 . . . . 1.0800000000000001 111.163 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 21.5 t -75.31 -29.55 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.974 -0.557 . . . . 1.9199999999999999 110.759 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.25 -18.04 59.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 1.1699999999999999 111.164 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -72.77 149.58 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.496 . . . . 1.23 110.69 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.45 -18.73 61.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.247 0.546 . . . . 2.6699999999999999 110.803 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1909 ' ' ASN . . . . . 0.574 ' HB3' HG12 ' A' 1912 ' ' ILE . 44.9 t-20 -128.47 132.39 48.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.781 -0.645 . . . . 2.4900000000000002 109.76 -174.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.54 -32.05 73.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.035 0.445 . . . . 2.2400000000000002 110.281 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -65.78 -34.1 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.928 -0.578 . . . . 2.4900000000000002 110.249 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1912 ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' 1909 ' ' ASN . 36.1 mm -66.33 -42.44 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.057 -0.52 . . . . 1.3899999999999999 109.612 176.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.48 -44.88 97.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.902 -0.666 . . . . 0.57999999999999996 111.902 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.74 94.47 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.308 0.575 . . . . 1.22 110.236 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1915 ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -59.78 -37.05 77.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.077 -0.965 . . . . 2.1800000000000002 110.803 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1916 ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' 1912 ' ' ILE . 92.3 mt -67.78 -54.85 19.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 1.1299999999999999 111.054 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1917 ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.6 ptpt -67.22 -31.56 72.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 1.8100000000000001 111.811 -174.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 36.4 m170 -68.02 -31.81 71.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 2.52 110.663 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1919 ' ' ARG . . . . . 0.699 ' HB3' HG23 ' A' 1964 ' ' VAL . 17.8 mmm180 -70.44 -31.47 68.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.321 -0.399 . . . . 3.1499999999999999 110.761 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 22.0 t -71.9 -31.42 40.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.4 -0.364 . . . . 1.1200000000000001 110.106 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1921 ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.4 mm-40 -57.72 -36.76 72.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.301 0.572 . . . . 1.22 109.923 175.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1922 ' ' GLU . . . . . 0.545 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 17.7 mm-40 -59.68 -49.36 78.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.175 -0.92 . . . . 1.49 111.22 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 15.3 mt -66.8 -32.01 73.02 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 109.256 -0.646 . . . . 1.3700000000000001 109.256 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.94 -52.39 35.23 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.303 -0.951 . . . . 0.64000000000000001 111.44 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -72.16 -33.95 68.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.652 0.263 . . . . 0.85999999999999999 110.82 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1926 ' ' GLY . . . . . 0.451 ' HA3' HG22 ' A' 1957 ' ' VAL . . . -73.11 -54.38 7.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.989 -0.624 . . . . 0.28000000000000003 112.189 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1927 ' ' CYS . . . . . 0.555 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 14.1 t -55.03 -49.99 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.991 0.517 . . . . 1.6599999999999999 110.635 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1928 ' ' SER . . . . . 0.411 ' OG ' HG21 ' A' 1831 ' ' ILE . 47.3 m -51.63 -52.44 47.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.948 0.404 . . . . 1.5 110.648 177.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.32 96.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 1.01 111.07 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1930 ' ' LEU . . . . . 0.488 HD12 HG21 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.44 -52.98 62.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.939 -0.573 . . . . 1.0700000000000001 110.892 -177.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 23.6 m -66.41 -36.01 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.68 0.276 . . . . 1.0800000000000001 110.898 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 100.0 m -63.56 -46.51 85.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.137 0.494 . . . . 1.4099999999999999 110.367 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1933 ' ' LYS . . . . . 0.474 ' HE3' HG22 ' A' 1946 ' ' THR . 37.1 tptt -67.09 -39.34 86.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.831 -0.622 . . . . 1.6799999999999999 110.286 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.33 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 1.03 111.272 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.22 -44.08 97.59 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.681 -0.771 . . . . 0.42999999999999999 111.879 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -78.0 -29.67 49.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.691 0.281 . . . . 1.3100000000000001 111.36 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1937 ' ' LEU . . . . . 0.436 HD13 HD12 ' A' 1882 ' ' LEU . 3.2 tm? -69.07 -37.42 78.49 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 109.825 -0.435 . . . . 1.1200000000000001 109.825 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -71.63 -24.81 61.94 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.909 0.385 . . . . 1.46 110.779 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.5 t -72.01 -29.7 64.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.277 -0.42 . . . . 2.3599999999999999 109.949 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 15.4 m -136.66 65.33 54.01 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.399 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.83 -14.36 41.26 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.415 2.076 . . . . 0.72999999999999998 112.723 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 74.3 m -84.39 -14.29 49.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.84 -0.618 . . . . 1.95 111.252 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.12 127.33 32.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.831 0.348 . . . . 1.1599999999999999 110.124 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 35.1 t -79.55 -40.59 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.25 -0.432 . . . . 1.96 111.341 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1945 ' ' TYR . . . . . 0.406 ' O ' ' HG3' ' A' 1949 ' ' GLU . 35.0 t80 -64.89 -45.09 87.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.355 -0.384 . . . . 2.25 111.253 -173.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1946 ' ' THR . . . . . 0.474 HG22 ' HE3' ' A' 1933 ' ' LYS . 28.7 m -59.69 -41.7 91.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.062 0.458 . . . . 1.1200000000000001 110.853 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -68.57 -42.76 77.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 1.8500000000000001 110.213 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 61.8 tttp -52.98 -44.06 66.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.471 -0.786 . . . . 3.1899999999999999 110.65 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1949 ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' 1945 ' ' TYR . 42.9 mt-10 -66.48 -45.79 78.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.931 -0.577 . . . . 1.53 110.999 177.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.98 -42.99 99.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.465 -0.334 . . . . 1.0900000000000001 111.209 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1951 ' ' ILE . . . . . 0.537 ' O ' ' HG3' ' A' 1955 ' ' ARG . 84.5 mt -56.08 -43.64 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.964 0.412 . . . . 1.1100000000000001 110.075 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1952 ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' 1956 ' ' ARG . 23.0 mm-40 -64.58 -43.17 94.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.959 -0.564 . . . . 2.1099999999999999 110.866 177.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1953 ' ' CYS . . . . . 0.525 ' O ' HG23 ' A' 1957 ' ' VAL . 70.9 m -57.1 -45.35 83.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 1.6799999999999999 110.557 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.45 98.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 1.0800000000000001 111.163 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1955 ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' 1951 ' ' ILE . 79.7 mtp180 -57.7 -43.79 85.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 3.7200000000000002 110.923 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1956 ' ' ARG . . . . . 0.61 ' O ' ' HG2' ' A' 1960 ' ' LYS . 69.2 mtp180 -66.48 -42.17 87.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 3.6299999999999999 111.033 -177.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1957 ' ' VAL . . . . . 0.748 ' HB ' HG22 ' A' 1868 ' ' VAL . 57.4 t -61.39 -40.5 86.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.779 0.323 . . . . 1.0600000000000001 110.352 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 19.2 m -59.07 -38.48 79.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 1.6599999999999999 110.776 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1959 ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' 1955 ' ' ARG . 74.9 mt-10 -67.82 -37.96 82.64 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.24 0.543 . . . . 1.8600000000000001 110.449 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1960 ' ' LYS . . . . . 0.625 ' O ' HG21 ' A' 1964 ' ' VAL . 74.4 mmtt -62.15 -41.79 98.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.716 -0.674 . . . . 1.4199999999999999 110.792 -178.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1961 ' ' VAL . . . . . 0.757 HG11 ' HB2' ' A' 1865 ' ' ALA . 46.8 t -53.17 -48.8 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 123.734 0.646 . . . . 1.0800000000000001 111.639 -176.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 16.8 t -59.91 -36.32 76.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 1.54 110.482 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1963 ' ' HIS . . . . . 0.43 ' HB2' ' NH2' ' A' 1919 ' ' ARG . 35.7 m170 -76.25 -26.46 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.508 -0.314 . . . . 1.8899999999999999 110.849 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1964 ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' 1919 ' ' ARG . 48.7 t -72.14 -45.14 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.666 -0.494 . . . . 1.1200000000000001 109.666 174.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1965 ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' 1969 ' ' GLN . 73.9 mt -57.71 -47.7 81.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 1.0800000000000001 110.531 176.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.49 70.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.71 -0.677 . . . . 1.1200000000000001 111.503 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1967 ' ' ALA . . . . . 0.647 ' HB3' ' HG3' ' A' 1919 ' ' ARG . . . -62.55 -44.59 95.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.509 -0.314 . . . . 1.0900000000000001 110.63 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1968 ' ' LEU . . . . . 0.627 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -64.92 -40.11 94.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.051 -0.522 . . . . 1.1000000000000001 110.248 176.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1969 ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' 1965 ' ' LEU . 31.3 mm-40 -60.62 -28.5 68.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 1.7 111.1 -178.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.46 111.327 -178.786 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 111.62 -0.592 . . . . 21.93 111.62 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1810 ' ' ILE . . . . . 0.417 ' H ' HD11 ' A' 1810 ' ' ILE . 0.2 OUTLIER -73.7 -28.8 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.034 0.417 . . . . 20.550000000000001 110.311 176.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 68.4 m-20 55.8 83.26 0.23 Allowed Pre-proline 0 N--CA 1.464 0.255 0 CA-C-N 115.411 -0.813 . . . . 19.41 112.024 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -86.76 148.78 8.47 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.056 2.504 . . . . 18.440000000000001 111.365 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -109.27 98.78 8.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.01 0.433 . . . . 20.98 110.148 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 4.7 m -76.98 90.58 3.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.728 -0.669 . . . . 16.809999999999999 110.183 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 65.1 t30 -92.5 68.0 4.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.284 0.564 . . . . 16.420000000000002 109.646 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -90.76 136.67 32.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.604 -0.725 . . . . 14.41 110.039 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . 66.42 -80.32 0.03 OUTLIER 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.907 0.754 . . . . 12.27 111.198 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -173.47 160.11 3.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.467 -0.333 . . . . 10.710000000000001 110.281 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 7.7 m -72.08 -42.29 66.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.516 0.674 . . . . 8.9499999999999993 109.221 173.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -149.76 -48.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.025 -0.989 . . . . 7.1900000000000004 109.618 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -130.05 138.58 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.731 -0.668 . . . . 5.0 109.845 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -74.03 -32.99 57.98 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.986 -0.626 . . . . 4.2199999999999998 111.951 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 35.7 m -84.23 -170.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.619 0.247 . . . . 2.7200000000000002 110.46 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.584 HG11 ' HE3' ' A' 1827 ' ' MET . 55.2 t -74.37 99.83 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.666 0.746 . . . . 1.9199999999999999 110.934 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -146.94 157.67 27.49 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 114.535 -1.211 . . . . 2.1000000000000001 110.795 175.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 91.68 -62.27 2.68 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.887 -0.673 . . . . 1.3899999999999999 111.964 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.584 ' HE3' HG11 ' A' 1824 ' ' VAL . 25.7 ptt? -69.99 -13.67 62.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.852 0.358 . . . . 1.79 111.319 -178.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.1 p -66.73 -31.55 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.343 0.592 . . . . 1.28 109.553 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.73 -30.53 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.434 -0.803 . . . . 0.87 109.96 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 45.9 m -63.88 -36.91 85.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.578 -0.737 . . . . 1.3500000000000001 110.876 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.96 -44.51 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.027 0.441 . . . . 1.0900000000000001 110.228 178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 31.7 m -61.91 -35.21 77.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.272 0.558 . . . . 1.1399999999999999 110.416 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -66.08 -41.64 90.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.842 -0.617 . . . . 3.02 110.232 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.545 ' O ' ' HG2' ' A' 1837 ' ' GLN . . . -62.0 -34.12 75.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.989 -0.551 . . . . 1.0600000000000001 111.05 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1835 ' ' ILE . . . . . 0.464 ' HA ' HE22 ' A' 1921 ' ' GLN . 62.0 mt -64.96 -48.34 84.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.121 -0.49 . . . . 1.1899999999999999 110.423 175.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -66.65 -40.38 88.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.80000000000000004 111.832 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1837 ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.2 pt20 -62.5 -34.08 76.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 1.0 110.996 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 98.1 mt -76.34 -35.14 58.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.66 0.266 . . . . 1.25 110.759 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -57.03 -29.45 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 1.79 110.337 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.22 -57.65 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.363 -0.835 . . . . 3.25 110.777 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 156.71 -172.02 34.33 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.43 -0.89 . . . . 2.2799999999999998 112.692 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1842 ' ' PRO . . . . . 0.686 ' HB2' ' HB ' ' A' 1905 ' ' VAL . 5.7 Cg_exo -80.28 157.53 22.86 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.464 2.776 . . . . 3.0899999999999999 112.492 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1843 ' ' MET . . . . . 0.639 ' H ' ' HB3' ' A' 1901 ' ' LYS . 15.4 tpt -75.76 -62.68 1.51 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.205 -0.452 . . . . 5.5099999999999998 110.585 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1844 ' ' GLY . . . . . 0.549 ' HA2' HG23 ' A' 1905 ' ' VAL . . . 114.27 174.5 18.56 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.608 -0.806 . . . . 2.1499999999999999 111.952 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 38.8 t70 53.39 71.53 1.38 Allowed Pre-proline 0 C--N 1.328 -0.336 0 C-N-CA 122.934 0.494 . . . . 3.0800000000000001 111.14 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.547 ' HA ' ' HH ' ' A' 1853 ' ' TYR . 4.0 Cg_exo -76.43 137.69 18.91 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.43 2.086 . . . . 1.3 111.816 177.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.788 ' H ' ' HH ' ' A' 1853 ' ' TYR . 36.9 mt-10 -78.04 -16.86 57.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 2.8199999999999998 110.786 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -147.29 -169.88 15.07 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 111.325 -0.71 . . . . 1.21 111.325 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1849 ' ' SER . . . . . 0.403 ' HB2' HG12 ' A' 1851 ' ' VAL . 15.0 m -79.43 170.5 16.51 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.609 -0.515 . . . . 1.9399999999999999 109.609 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' A' 1916 ' ' ILE . 57.2 t80 -54.99 -38.93 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.89000000000000001 110.595 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1851 ' ' VAL . . . . . 0.651 ' HB ' ' HA ' ' A' 1973 ' ' ARG . 7.5 p -58.02 -33.45 46.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.068 -0.515 . . . . 1.3400000000000001 112.07 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -69.25 -44.39 72.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.031 0.443 . . . . 1.71 110.514 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.788 ' HH ' ' H ' ' A' 1847 ' ' GLU . 80.2 m-85 -73.42 -33.4 64.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.106 -0.497 . . . . 1.4299999999999999 110.555 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.711 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 30.8 tt0 -55.03 -57.23 12.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 1.21 110.505 173.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.536 ' O ' ' HG3' ' A' 1859 ' ' ARG . 10.5 p -62.98 -30.33 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.484 -0.78 . . . . 2.1099999999999999 111.457 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 44.1 m -69.37 -49.1 58.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.739 0.304 . . . . 1.1899999999999999 110.675 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.408 ' SD ' ' HA ' ' A' 1900 ' ' ALA . 67.9 mtp -65.13 -41.94 94.36 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.132 0.419 . . . . 1.1000000000000001 112.132 -176.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.691 ' O ' ' HG3' ' A' 1862 ' ' LYS . 29.1 m -61.89 -32.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.456 -0.498 . . . . 1.0700000000000001 110.809 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' 1855 ' ' THR . 96.4 mtt180 -66.98 -46.76 73.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.712 0.292 . . . . 3.6299999999999999 110.503 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.478 ' HB ' HD21 ' A' 1896 ' ' LEU . 2.6 m -68.1 -31.92 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.374 -0.376 . . . . 1.1100000000000001 110.79 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.531 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.97 -45.33 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 1.0900000000000001 110.525 176.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.691 ' HG3' ' O ' ' A' 1858 ' ' VAL . 84.1 mttt -63.75 -28.25 69.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.107 0.48 . . . . 1.8799999999999999 110.183 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1863 ' ' ALA . . . . . 0.403 ' O ' HG12 ' A' 1866 ' ' VAL . . . -72.45 -38.3 68.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 1.1499999999999999 111.37 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.73 HD13 HG22 ' A' 1961 ' ' VAL . 1.7 pp -76.96 -26.47 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.374 -0.53 . . . . 1.0800000000000001 109.767 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.581 ' HB3' HG11 ' A' 1961 ' ' VAL . . . -66.65 -38.86 87.74 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.809 -0.632 . . . . 0.98999999999999999 111.395 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' 1863 ' ' ALA . 13.0 p -71.54 -30.46 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.694 -0.403 . . . . 1.45 110.254 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.55 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.7 m -67.27 -53.53 29.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 1.0600000000000001 110.744 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.705 HG22 ' HB ' ' A' 1957 ' ' VAL . 6.8 p -62.05 -37.21 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 1.05 111.157 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.408 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -68.97 -26.1 64.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.292 0.568 . . . . 0.91000000000000003 109.838 179.156 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.6 tp10 -77.28 -38.4 50.86 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.696 -0.483 . . . . 0.56999999999999995 109.696 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.55 ' HG3' ' O ' ' A' 1867 ' ' THR . 83.0 mtp -64.16 -42.22 96.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 1.25 111.117 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' 1869 ' ' GLN . 11.6 p -62.54 -31.34 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.459 0.647 . . . . 1.27 110.57 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 98.1 m -81.09 -51.15 8.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.238 -0.892 . . . . 1.1499999999999999 111.083 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 6.0 mmpt? -63.48 -25.96 68.5 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 112.538 0.57 . . . . 1.97 112.538 -175.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 33.5 p -61.43 -24.51 66.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.152 0.501 . . . . 1.74 111.307 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -80.5 -32.18 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.9 -0.591 . . . . 0.76000000000000001 111.685 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 16.5 p -109.3 -45.73 3.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.281 0.562 . . . . 1.71 112.466 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 60.5 m -131.66 88.83 41.56 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.702 -0.681 . . . . 1.4299999999999999 110.874 -168.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.99 -21.57 32.22 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.555 2.17 . . . . 1.02 112.842 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.01 -14.98 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 2.2400000000000002 110.86 -178.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -80.88 -9.95 59.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 1.8899999999999999 110.712 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.463 HD11 HD13 ' A' 1937 ' ' LEU . 98.4 mt -69.04 -33.74 74.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 1.1399999999999999 111.22 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1883 ' ' GLY . . . . . 0.413 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.17 -55.4 28.1 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.102 -0.57 . . . . 0.42999999999999999 113.437 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' 1883 ' ' GLY . 16.8 Cg_endo -60.2 -30.85 92.17 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.329 2.019 . . . . 1.0 112.613 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.98 -41.37 51.5 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 121.183 -0.207 . . . . 1.0700000000000001 110.553 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1886 ' ' ALA . . . . . 0.493 ' HB2' HG23 ' A' 1824 ' ' VAL . . . -58.63 -35.75 72.98 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.59 -0.522 . . . . 1.1000000000000001 109.59 173.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -65.9 -40.66 91.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.557 -0.747 . . . . 1.4299999999999999 110.087 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -68.36 -44.12 75.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.264 -0.88 . . . . 1.0700000000000001 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.568 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 33.7 tp -60.75 -40.26 91.8 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.437 -0.579 . . . . 1.05 109.437 176.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1890 ' ' THR . . . . . 0.419 HG21 ' HB2' ' A' 1827 ' ' MET . 55.8 m -65.33 -45.69 83.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.424 -0.807 . . . . 1.0800000000000001 111.669 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 68.7 p -70.46 -50.87 33.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 1.72 111.528 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.435 ' HB3' HG22 ' A' 1864 ' ' ILE . 21.9 m-20 -58.02 -41.14 82.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.189 -0.459 . . . . 0.80000000000000004 111.266 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.28 -41.27 98.98 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.858 -0.337 . . . . 1.05 110.437 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.95 -39.31 88.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.96 -0.638 . . . . 0.34000000000000002 111.847 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -67.86 -43.48 79.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.411 0.148 . . . . 3.48 110.795 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.478 HD21 ' HB ' ' A' 1860 ' ' THR . 8.9 mt -60.25 -41.26 92.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.272 . . . . 1.45 111.263 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.35 -25.85 68.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.244 -0.435 . . . . 1.1499999999999999 111.096 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 32.9 t -81.75 -36.1 28.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 1.8899999999999999 110.071 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.403 ' O ' ' HD2' ' A' 1902 ' ' PRO . 19.6 mt-30 -77.51 -24.89 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.713 -0.676 . . . . 1.5600000000000001 111.727 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1900 ' ' ALA . . . . . 0.408 ' HA ' ' SD ' ' A' 1857 ' ' MET . . . -65.3 -36.22 83.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.264 -0.425 . . . . 1.0700000000000001 112.119 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.657 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 85.4 mttt -62.97 -53.99 50.59 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 112.1 0.408 . . . . 2.8500000000000001 112.1 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.657 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 34.8 Cg_exo -61.07 -29.74 88.05 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.155 1.903 . . . . 0.87 112.302 176.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -69.05 -47.37 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.821 0.343 . . . . 1.0700000000000001 110.634 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.86 94.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 1.0800000000000001 111.446 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.686 ' HB ' ' HB2' ' A' 1842 ' ' PRO . 8.2 p -76.01 -25.2 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.395 . . . . 1.9199999999999999 111.696 -178.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.63 -13.51 60.05 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.237 0.541 . . . . 1.1699999999999999 110.687 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -76.57 143.63 40.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.565 -0.743 . . . . 1.23 110.44 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1908 ' ' GLU . . . . . 0.524 ' CD ' ' HB2' ' A' 1972 ' ' ASN . 0.0 OUTLIER -90.02 7.69 36.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.786 -0.643 . . . . 2.6699999999999999 110.552 -177.237 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.451 ' HB3' HG12 ' A' 1912 ' ' ILE . 50.0 t-20 -143.35 129.01 19.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.729 -0.669 . . . . 2.4900000000000002 109.544 -176.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.3 -41.27 96.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 2.2400000000000002 110.121 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1911 ' ' GLU . . . . . 0.607 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.0 OUTLIER -61.5 -25.1 67.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.41 -0.359 . . . . 2.4900000000000002 111.464 179.711 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.451 HG12 ' HB3' ' A' 1909 ' ' ASN . 46.5 mm -80.15 -47.23 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.58 0.228 . . . . 1.3899999999999999 110.504 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.94 96.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.555 -0.831 . . . . 0.57999999999999996 111.71 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1914 ' ' ALA . . . . . 0.489 ' HA ' ' CD ' ' A' 1917 ' ' LYS . . . -65.58 -26.13 67.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.228 0.537 . . . . 1.22 110.58 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.607 ' HB2' ' O ' ' A' 1911 ' ' GLU . 2.1 t-80 -71.96 -39.22 69.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 2.1800000000000002 109.814 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.522 HD11 ' CZ ' ' A' 1850 ' ' PHE . 88.8 mt -68.14 -55.03 17.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.627 -0.715 . . . . 1.1299999999999999 111.083 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.6 ' O ' ' HG2' ' A' 1921 ' ' GLN . 19.2 ptmt -58.14 -38.58 76.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 1.8100000000000001 111.334 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1918 ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' 1922 ' ' GLU . 20.9 t-80 -70.36 -28.57 65.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.611 -0.268 . . . . 2.52 110.772 -177.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.627 ' HB3' HG23 ' A' 1964 ' ' VAL . 52.2 mmt-85 -74.65 -33.13 62.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.847 0.356 . . . . 3.1499999999999999 110.461 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 13.9 t -71.22 -27.16 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.319 -0.623 . . . . 1.1200000000000001 109.319 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.6 ' HG2' ' O ' ' A' 1917 ' ' LYS . 24.9 mm-40 -65.56 -42.46 91.83 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.947 -0.57 . . . . 1.22 109.465 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' 1918 ' ' HIS . 39.3 mm-40 -52.51 -50.56 62.54 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.749 -0.66 . . . . 1.49 109.686 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' 1923 ' ' LEU . 16.9 mt -61.98 -40.69 96.48 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.135 -0.939 . . . . 1.3700000000000001 111.111 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.46 -49.48 64.44 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.015 -0.612 . . . . 0.64000000000000001 112.314 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -63.78 -40.21 96.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.857 0.36 . . . . 0.85999999999999999 110.66 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.29 -51.48 13.2 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.806 -0.711 . . . . 0.28000000000000003 112.107 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.568 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 35.0 t -53.87 -49.04 69.37 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.857 0.463 . . . . 1.6599999999999999 110.628 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.8 t -55.62 -46.89 77.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.52 -0.764 . . . . 1.5 110.707 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.17 89.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 1.01 110.97 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.571 HD13 HG21 ' A' 1868 ' ' VAL . 0.4 OUTLIER -62.93 -47.84 81.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.476 -0.329 . . . . 1.0700000000000001 110.603 -177.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.559 ' HB ' HG12 ' A' 1824 ' ' VAL . 23.7 m -68.99 -35.67 70.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.732 -0.387 . . . . 1.0800000000000001 111.663 -175.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 15.1 t -72.66 -30.34 64.19 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.421 -0.511 . . . . 1.4099999999999999 110.38 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -69.82 -41.35 75.09 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 110.297 -0.26 . . . . 1.6799999999999999 110.297 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.28 91.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.46 -0.336 . . . . 1.03 110.57 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.73 -52.08 55.12 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.702 -0.761 . . . . 0.42999999999999999 111.668 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.09 -26.75 66.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.715 0.293 . . . . 1.3100000000000001 111.601 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.463 HD13 HD11 ' A' 1882 ' ' LEU . 2.8 tm? -74.32 -37.31 63.63 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.823 -0.436 . . . . 1.1200000000000001 109.823 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -69.4 -26.13 64.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.97 0.414 . . . . 1.46 111.108 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 72.7 m -67.74 -30.58 70.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.985 -0.552 . . . . 2.3599999999999999 110.523 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.1 m -150.25 78.35 7.9 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.036 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.98 -15.52 27.93 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.384 2.723 . . . . 0.72999999999999998 112.593 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 47.6 t -82.85 -20.82 34.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.524 -0.762 . . . . 1.95 111.506 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 24.5 t70 -73.76 108.67 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.131 0.491 . . . . 1.1599999999999999 110.858 -174.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 13.0 m -65.79 -35.87 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.662 -0.699 . . . . 1.96 112.133 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.443 ' O ' ' HG3' ' A' 1949 ' ' GLU . 48.9 t80 -63.08 -48.45 78.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.734 -0.212 . . . . 2.25 111.117 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 57.3 m -59.19 -42.47 90.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.02 0.438 . . . . 1.1200000000000001 110.621 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.447 ' O ' HG13 ' A' 1951 ' ' ILE . 38.7 ttpt -64.09 -40.14 95.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.851 -0.613 . . . . 1.8500000000000001 110.324 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.77 -42.55 97.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.963 -0.562 . . . . 3.1899999999999999 110.824 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' 1945 ' ' TYR . 45.0 mt-10 -61.76 -39.91 93.31 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.338 -0.392 . . . . 1.53 110.218 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.64 -41.74 99.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 1.0900000000000001 110.527 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' 1947 ' ' LYS . 83.9 mt -60.86 -42.63 93.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.926 -0.398 . . . . 1.1100000000000001 109.926 176.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' 1956 ' ' ARG . 62.8 mm-40 -60.51 -49.61 76.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.17 -0.468 . . . . 2.1099999999999999 110.231 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.576 ' O ' HG23 ' A' 1957 ' ' VAL . 72.3 m -57.27 -46.38 83.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.919 -0.582 . . . . 1.6799999999999999 111.047 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -58.47 -45.01 89.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.979 0.418 . . . . 1.0800000000000001 111.028 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' A' 1959 ' ' GLU . 99.5 mtt180 -59.22 -47.63 84.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.045 -0.525 . . . . 3.7200000000000002 110.397 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' 1952 ' ' GLU . 95.9 mtt180 -58.35 -42.22 86.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 3.6299999999999999 111.026 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.705 ' HB ' HG22 ' A' 1868 ' ' VAL . 62.0 t -63.07 -53.79 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 1.0600000000000001 110.57 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.1 t -58.33 -37.91 76.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 1.6599999999999999 110.915 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 1955 ' ' ARG . 50.3 mt-10 -62.68 -45.16 94.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.165 0.507 . . . . 1.8600000000000001 110.783 177.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.548 ' O ' HG21 ' A' 1964 ' ' VAL . 31.6 mmtp -69.59 -27.31 64.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 1.4199999999999999 111.86 -175.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.73 HG22 HD13 ' A' 1864 ' ' ILE . 42.4 t -54.23 -44.13 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 120.893 0.378 . . . . 1.0800000000000001 110.229 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 35.3 t -61.1 -39.47 90.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.742 -0.663 . . . . 1.54 110.495 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.407 ' HD2' ' HA ' ' A' 1960 ' ' LYS . 94.3 m-70 -66.8 -38.3 86.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 1.8899999999999999 110.292 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.627 HG23 ' HB3' ' A' 1919 ' ' ARG . 48.5 t -63.84 -52.58 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.1200000000000001 110.191 177.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 86.6 mt -54.34 -48.82 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.732 -0.667 . . . . 1.0800000000000001 111.382 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.47 -24.38 67.6 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.143 0.424 . . . . 1.1200000000000001 112.143 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -70.26 -25.2 63.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.694 0.283 . . . . 1.0900000000000001 111.366 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.711 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.1 mm? -73.67 -43.35 59.63 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.853 0.686 . . . . 1.1000000000000001 112.853 -174.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -65.85 -14.75 62.04 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.458 0.54 . . . . 1.7 112.458 -172.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -77.7 -7.15 56.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.711 0.291 . . . . 1.46 111.495 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -99.01 -173.27 31.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.916 -0.659 . . . . 2.0 113.403 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1972 ' ' ASN . . . . . 0.547 ' C ' HD21 ' A' 1972 ' ' ASN . 0.2 OUTLIER -68.44 111.43 4.67 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.102 0.561 . . . . 5.0099999999999998 111.562 -177.217 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1973 ' ' ARG . . . . . 0.651 ' HA ' ' HB ' ' A' 1851 ' ' VAL . 54.8 mtp180 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.373 -0.822 . . . . 8.1600000000000001 109.259 170.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.539 -0.624 . . . . 21.93 111.539 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 2.5 pp -85.25 -12.06 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.834 0.317 . . . . 20.550000000000001 111.67 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -134.86 97.92 13.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.34 -0.391 . . . . 19.41 110.388 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -86.12 107.53 0.87 Allowed 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.21 2.607 . . . . 18.440000000000001 112.062 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 38.5 p90 -78.35 -23.75 46.79 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.727 -0.472 . . . . 20.98 109.727 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 27.7 m -74.86 112.97 11.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 16.809999999999999 109.837 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -62.85 -31.19 72.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.96 -0.564 . . . . 16.420000000000002 111.811 -174.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -80.48 -11.05 59.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.379 -0.373 . . . . 14.41 111.55 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -90.12 -17.39 27.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.927 0.394 . . . . 12.27 110.856 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -89.37 167.44 13.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.541 . . . . 10.710000000000001 110.63 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 39.0 m -114.89 60.08 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.374 -0.376 . . . . 8.9499999999999993 110.112 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 61.7 -170.11 0.17 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.876 -0.602 . . . . 7.1900000000000004 111.277 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -135.47 5.46 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 5.0 110.519 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 86.44 -37.01 3.16 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 111.672 -0.571 . . . . 4.2199999999999998 111.672 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1823 ' ' VAL . . . . . 0.475 ' O ' HG13 ' A' 1824 ' ' VAL . 7.2 p -147.75 132.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.0 -0.37 . . . . 2.7200000000000002 110.0 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.856 HG22 ' HE3' ' A' 1827 ' ' MET . 1.7 p 55.08 17.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.909 0.884 . . . . 1.9199999999999999 113.133 173.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -61.47 -58.12 14.77 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.373 -0.441 . . . . 2.1000000000000001 113.587 -174.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -74.03 -25.39 71.47 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 120.709 -0.758 . . . . 1.3899999999999999 111.218 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.856 ' HE3' HG22 ' A' 1824 ' ' VAL . 50.1 mtp -67.14 -47.45 71.03 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.69 -0.755 . . . . 1.79 110.944 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.3 p -66.9 -27.27 39.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.117 0.484 . . . . 1.28 110.143 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.8 -47.96 70.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.814 -0.63 . . . . 0.87 110.337 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.8 m -54.94 -41.26 70.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 1.3500000000000001 110.627 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.425 ' O ' HG13 ' A' 1835 ' ' ILE . 71.6 mt -63.05 -48.29 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 1.0900000000000001 110.425 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 63.2 m -61.1 -44.62 97.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 1.1399999999999999 111.624 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -67.37 -34.31 77.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.949 0.404 . . . . 3.02 110.518 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.515 ' HB2' ' HB1' ' A' 1897 ' ' ALA . . . -64.62 -27.94 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 1.0600000000000001 110.953 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1835 ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' 1831 ' ' ILE . 72.5 mt -70.84 -47.64 61.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.997 -0.547 . . . . 1.1899999999999999 110.317 175.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -55.92 -51.56 67.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.808 -0.633 . . . . 0.80000000000000004 112.064 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -55.86 -35.98 67.07 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.411 0.523 . . . . 1.0 112.411 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.46 ' HB2' ' NE2' ' A' 1921 ' ' GLN . 94.5 mt -74.59 -31.59 62.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.728 0.299 . . . . 1.25 111.329 -175.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.8 -31.22 61.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.576 -0.527 . . . . 1.79 109.576 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.82 -41.36 97.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.543 -0.753 . . . . 3.25 110.451 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 142.45 -174.12 23.54 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.507 -0.854 . . . . 2.2799999999999998 112.835 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -82.28 -168.11 0.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.776 2.318 . . . . 3.0899999999999999 112.01 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 51.1 ttm -115.18 -69.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.846 0.355 . . . . 5.5099999999999998 110.08 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1844 ' ' GLY . . . . . 0.571 ' HA2' HG12 ' A' 1905 ' ' VAL . . . 125.05 161.84 11.17 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.758 -0.734 . . . . 2.1499999999999999 111.75 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 31.5 t70 56.52 75.41 0.58 Allowed Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 121.381 0.61 . . . . 3.0800000000000001 110.823 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -74.01 149.8 42.31 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.213 1.942 . . . . 1.3 111.651 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.779 ' H ' ' HH ' ' A' 1853 ' ' TYR . 21.3 mm-40 -64.99 -37.76 88.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.269 0.557 . . . . 2.8199999999999998 110.419 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -128.15 -148.84 6.88 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.291 -0.724 . . . . 1.21 111.291 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 17.7 m -98.22 -178.71 4.13 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.622 -0.51 . . . . 1.9399999999999999 109.622 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 78.3 t80 -60.15 -41.28 92.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.556 -0.293 . . . . 0.89000000000000001 110.568 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 10.6 p -59.14 -33.72 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.464 -0.334 . . . . 1.3400000000000001 111.288 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.16 -46.88 75.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.199 0.523 . . . . 1.71 110.4 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.779 ' HH ' ' H ' ' A' 1847 ' ' GLU . 72.3 m-85 -73.68 -36.65 65.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.98 -0.555 . . . . 1.4299999999999999 110.879 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.646 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.8 tt0 -54.78 -55.41 30.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.334 -0.393 . . . . 1.21 110.67 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 13.2 p -61.57 -39.12 90.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.051 -0.522 . . . . 2.1099999999999999 111.232 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 28.2 m -69.57 -34.26 73.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.029 0.442 . . . . 1.1899999999999999 110.696 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 82.5 mtp -75.2 -47.32 28.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.639 -0.255 . . . . 1.1000000000000001 111.425 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -62.53 -36.91 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.47 -0.492 . . . . 1.0700000000000001 110.788 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -63.28 -48.15 79.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 3.6299999999999999 110.815 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.464 ' O ' HG22 ' A' 1864 ' ' ILE . 44.8 m -67.05 -38.16 85.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.959 -0.564 . . . . 1.1100000000000001 111.062 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.37 -48.52 77.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.664 0.268 . . . . 1.0900000000000001 110.643 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.521 ' HG3' ' O ' ' A' 1858 ' ' VAL . 55.4 mtmt -62.11 -26.06 68.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.729 0.299 . . . . 1.8799999999999999 111.017 175.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -73.67 -46.03 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.568 -0.287 . . . . 1.1499999999999999 110.904 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.67 HD12 HG23 ' A' 1961 ' ' VAL . 1.6 pp -68.81 -25.56 30.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.35 . . . . 1.0800000000000001 110.084 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.639 ' HB2' HG13 ' A' 1961 ' ' VAL . . . -64.09 -37.06 86.09 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 115.978 -0.556 . . . . 0.98999999999999999 110.621 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 59.2 t -65.86 -37.43 79.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 1.45 109.852 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 60.6 m -64.01 -46.15 85.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 1.0600000000000001 111.075 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.83 HG22 ' HB ' ' A' 1957 ' ' VAL . 7.1 p -74.12 -29.78 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.723 0.297 . . . . 1.05 111.224 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -73.25 -26.71 61.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.331 0.586 . . . . 0.91000000000000003 109.445 176.402 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.1 tp10 -76.46 -33.13 58.72 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.436 -0.579 . . . . 0.56999999999999995 109.436 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.542 ' SD ' HD21 ' A' 1882 ' ' LEU . 3.7 mmt -53.52 -56.04 20.36 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.206 -0.452 . . . . 1.25 111.448 176.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.634 HG23 HG22 ' A' 1951 ' ' ILE . 11.1 p -60.15 -34.95 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.502 0.667 . . . . 1.27 110.968 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 53.9 m -75.09 -48.38 24.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.18 -0.918 . . . . 1.1499999999999999 111.095 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.846 ' HE3' ' HA ' ' A' 1874 ' ' LYS . 0.0 OUTLIER -70.58 -28.1 64.62 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 116.351 -0.386 . . . . 1.97 111.662 -177.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 22.7 t -61.89 -27.37 68.76 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.131 0.491 . . . . 1.74 110.345 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -81.61 -35.46 30.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.705 -0.679 . . . . 0.76000000000000001 111.71 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 24.0 p -109.59 -35.63 6.17 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.878 1.066 . . . . 1.71 113.878 -171.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 75.2 m -148.62 89.16 5.11 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.802 0.334 . . . . 1.4299999999999999 111.363 -169.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.36 -24.97 64.09 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.973 2.448 . . . . 1.02 112.782 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.2 -22.8 62.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 2.2400000000000002 111.106 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.66 ' O ' ' HG ' ' A' 1885 ' ' LEU . 70.6 mm-40 -75.05 -21.89 58.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.432 -0.349 . . . . 1.8899999999999999 110.754 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.542 HD21 ' SD ' ' A' 1871 ' ' MET . 90.2 mt -66.07 -35.83 81.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.521 . . . . 1.1399999999999999 111.746 -173.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -58.58 -55.14 32.42 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.741 -0.743 . . . . 0.42999999999999999 112.998 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.416 ' HD2' ' O ' ' A' 1881 ' ' GLU . 49.2 Cg_exo -59.34 -39.06 80.78 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.679 2.253 . . . . 1.0 112.75 174.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' 1881 ' ' GLU . 68.6 mt -65.36 -41.08 94.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 110.306 -0.257 . . . . 1.0700000000000001 110.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -55.34 -36.36 66.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 1.1000000000000001 109.881 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1887 ' ' ASN . . . . . 0.644 ' HA ' ' HE1' ' A' 1827 ' ' MET . 17.6 t-20 -73.66 -43.76 58.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.042 -0.527 . . . . 1.4299999999999999 111.475 -176.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.11 -37.11 80.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.847 0.356 . . . . 1.0700000000000001 110.439 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.419 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 45.5 tp -64.31 -32.61 74.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 1.05 109.863 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1890 ' ' THR . . . . . 0.545 HG23 ' HB3' ' A' 1827 ' ' MET . 53.5 m -72.91 -49.54 28.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 1.0800000000000001 111.459 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 81.0 p -70.55 -48.02 57.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.131 0.491 . . . . 1.72 111.007 -172.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.408 ' HB3' HG21 ' A' 1864 ' ' ILE . 1.0 OUTLIER -64.94 -29.3 70.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 0.80000000000000004 111.367 178.78 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 41.4 t80 -64.07 -42.81 96.85 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.889 -0.412 . . . . 1.05 109.889 172.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.24 -32.84 57.52 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.828 -0.624 . . . . 0.34000000000000002 112.361 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -63.89 -53.88 43.5 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.369 -0.604 . . . . 3.48 109.369 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' 1861 ' ' ALA . 83.2 mt -57.26 -44.61 84.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.303 -0.862 . . . . 1.45 111.058 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1897 ' ' ALA . . . . . 0.515 ' HB1' ' HB2' ' A' 1834 ' ' ALA . . . -60.19 -40.66 90.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.58 -0.736 . . . . 1.1499999999999999 111.801 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 18.3 t -76.81 -38.07 54.58 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.955 -0.298 . . . . 1.8899999999999999 110.72 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.543 ' O ' ' HD2' ' A' 1902 ' ' PRO . 26.2 mt-30 -68.22 -25.27 65.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.555 -0.293 . . . . 1.5600000000000001 111.645 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.68 -25.64 64.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 1.0700000000000001 111.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.831 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 1.5 mmmm -62.06 -55.55 39.85 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.097 -0.501 . . . . 2.8500000000000001 111.297 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.831 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 11.1 Cg_exo -72.94 -29.66 11.87 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.2 1.933 . . . . 0.87 112.386 175.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.74 89.1 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.888 0.375 . . . . 1.0700000000000001 110.71 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.4 90.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 1.0800000000000001 111.533 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.571 HG12 ' HA2' ' A' 1844 ' ' GLY . 10.0 p -75.73 -24.8 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.827 0.346 . . . . 1.9199999999999999 111.426 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.43 -10.76 58.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.025 0.44 . . . . 1.1699999999999999 111.072 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -79.22 155.39 28.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.913 -0.585 . . . . 1.23 110.693 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -71.24 -66.66 0.59 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.052 0.453 . . . . 2.6699999999999999 110.936 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.891 ' HB2' HG12 ' A' 1912 ' ' ILE . 42.2 m-80 -84.93 150.52 24.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.94 -0.573 . . . . 2.4900000000000002 110.95 -176.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -63.54 -38.72 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.799 -0.445 . . . . 2.2400000000000002 109.799 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.7 -40.75 66.28 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.269 -0.423 . . . . 2.4900000000000002 110.987 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.891 HG12 ' HB2' ' A' 1909 ' ' ASN . 37.6 mm -62.99 -51.18 75.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.223 -0.444 . . . . 1.3899999999999999 110.167 -177.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.73 -39.79 95.43 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.757 -0.735 . . . . 0.57999999999999996 112.018 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.24 -40.7 94.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.936 0.398 . . . . 1.22 110.673 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.531 ' O ' ' HG2' ' A' 1919 ' ' ARG . 30.8 m-70 -64.45 -47.51 78.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.208 -0.451 . . . . 2.1800000000000002 110.539 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' 1912 ' ' ILE . 93.7 mt -56.36 -53.87 34.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.558 0.218 . . . . 1.1299999999999999 111.328 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.64 ' O ' ' HG2' ' A' 1921 ' ' GLN . 16.7 ptpt -60.32 -38.97 85.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.402 -0.363 . . . . 1.8100000000000001 110.93 -177.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 60.3 m170 -70.5 -30.12 66.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.699 0.285 . . . . 2.52 111.224 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.755 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 21.8 mmt85 -71.99 -31.48 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.415 -0.357 . . . . 3.1499999999999999 110.658 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.51 HG13 ' HA ' ' A' 1897 ' ' ALA . 23.3 t -74.3 -27.52 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.717 -0.475 . . . . 1.1200000000000001 109.717 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' 1917 ' ' LYS . 19.1 mm-40 -63.17 -38.88 92.9 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.182 -0.673 . . . . 1.22 109.182 172.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.921 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 13.6 mm-40 -56.02 -51.36 68.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.091 -0.959 . . . . 1.49 110.007 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.39 -41.24 93.41 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.316 -0.857 . . . . 1.3700000000000001 110.823 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.44 -51.79 49.22 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.928 -0.653 . . . . 0.64000000000000001 112.111 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -60.98 -46.23 91.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.967 0.413 . . . . 0.85999999999999999 110.581 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.6 -50.68 41.3 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.729 -0.748 . . . . 0.28000000000000003 112.637 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.419 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 27.4 t -56.7 -49.86 73.86 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.384 0.274 . . . . 1.6599999999999999 110.713 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 20.3 m -50.9 -51.23 53.94 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.081 0.467 . . . . 1.5 110.622 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.26 -44.7 90.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.669 . . . . 1.01 111.469 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.525 HD12 HG21 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.83 -53.22 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 1.0700000000000001 110.687 -177.08 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.577 ' HB ' HG23 ' A' 1824 ' ' VAL . 22.7 m -66.35 -29.45 46.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 1.0800000000000001 111.111 -176.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 90.5 m -72.31 -43.32 64.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.99 -0.55 . . . . 1.4099999999999999 110.825 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.887 ' HE3' HG22 ' A' 1946 ' ' THR . 36.4 tptt -68.93 -32.74 72.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.358 -0.383 . . . . 1.6799999999999999 110.548 -176.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.08 87.19 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.289 -0.414 . . . . 1.03 111.495 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.46 93.88 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.769 . . . . 0.42999999999999999 111.916 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.33 -31.91 62.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 1.3100000000000001 110.86 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.421 HD11 ' O ' ' A' 1937 ' ' LEU . 2.4 tm? -71.87 -32.35 67.39 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.767 -0.457 . . . . 1.1200000000000001 109.767 -178.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -70.27 -25.64 63.45 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.662 -0.415 . . . . 1.46 110.749 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 75.7 m -76.06 -18.42 59.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 2.3599999999999999 110.629 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.8 m -155.14 73.06 5.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.438 -0.578 . . . . 1.0 109.438 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.409 ' HA ' HD11 ' A' 1937 ' ' LEU . 27.7 Cg_endo -63.36 -17.48 60.26 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.905 2.404 . . . . 0.72999999999999998 112.786 -174.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 19.4 m -91.08 -12.21 36.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.804 -0.634 . . . . 1.95 110.795 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.68 113.92 13.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 1.1599999999999999 111.296 -174.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.5 m -68.16 -35.3 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 1.96 112.233 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.51 -54.65 44.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.851 0.358 . . . . 2.25 110.728 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.887 HG22 ' HE3' ' A' 1933 ' ' LYS . 26.4 m -62.05 -41.56 98.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.125 -0.489 . . . . 1.1200000000000001 110.76 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' 1951 ' ' ILE . 39.3 ttpt -63.24 -44.79 94.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.58 -0.737 . . . . 1.8500000000000001 110.819 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.494 ' HE3' ' OE1' ' A' 1952 ' ' GLU . 27.5 ttpt -52.73 -50.58 63.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.039 -0.528 . . . . 3.1899999999999999 111.138 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.474 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 17.4 mt-10 -64.86 -33.14 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.99 -0.55 . . . . 1.53 111.604 -175.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.54 -39.83 77.23 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.524 -0.547 . . . . 1.0900000000000001 109.524 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.634 HG22 HG23 ' A' 1872 ' ' VAL . 82.6 mt -60.7 -38.67 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.892 -0.594 . . . . 1.1100000000000001 109.701 174.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' 1956 ' ' ARG . 43.8 mt-10 -65.86 -47.16 75.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 2.1099999999999999 110.413 174.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.523 ' O ' HG21 ' A' 1957 ' ' VAL . 98.6 m -56.41 -41.11 75.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.37 -0.377 . . . . 1.6799999999999999 110.764 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.22 97.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 1.0800000000000001 111.721 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' 1952 ' ' GLU . 14.0 ptm180 -74.42 -22.4 59.16 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.66 -0.416 . . . . 3.7200000000000002 110.804 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' 1952 ' ' GLU . 79.3 mtt180 -72.76 -49.79 28.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 3.6299999999999999 110.443 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.83 ' HB ' HG22 ' A' 1868 ' ' VAL . 80.5 t -62.55 -43.72 98.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.079 -0.51 . . . . 1.0600000000000001 111.449 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 6.0 p -61.57 -31.62 71.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.334 . . . . 1.6599999999999999 111.288 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -70.37 -35.11 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.166 0.508 . . . . 1.8600000000000001 110.857 176.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.921 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.4 mmtt -69.23 -36.85 77.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.99 -0.55 . . . . 1.4199999999999999 110.46 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.67 HG23 HD12 ' A' 1864 ' ' ILE . 59.5 t -53.43 -52.24 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 O-C-N 123.46 0.475 . . . . 1.0800000000000001 111.214 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1962 ' ' SER . . . . . 0.513 ' HA ' HD11 ' A' 1965 ' ' LEU . 15.7 m -60.18 -37.29 79.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 1.54 110.944 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.755 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 36.1 m80 -65.83 -35.77 81.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 1.8899999999999999 110.787 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.621 HG22 ' HB3' ' A' 1919 ' ' ARG . 54.4 t -69.65 -45.97 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.939 0.399 . . . . 1.1200000000000001 110.161 177.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.52 ' O ' ' HG2' ' A' 1969 ' ' GLN . 61.8 mt -55.35 -47.85 75.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.592 . . . . 1.0800000000000001 110.722 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -65.3 -25.85 67.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.8 -0.636 . . . . 1.1200000000000001 111.721 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1967 ' ' ALA . . . . . 0.584 ' HB1' ' HG3' ' A' 1919 ' ' ARG . . . -68.51 -39.98 81.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 1.0900000000000001 110.32 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.646 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.3 mm? -64.71 -37.37 87.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 1.1000000000000001 110.399 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1969 ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' 1965 ' ' LEU . 80.1 mm-40 -67.04 -14.97 63.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.884 -0.598 . . . . 1.7 111.38 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -80.21 -19.69 46.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.028 0.442 . . . . 1.46 110.833 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -93.8 171.61 31.8 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.815 -0.707 . . . . 2.0 112.034 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 4.8 t-20 59.03 69.24 0.74 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.344 0.592 . . . . 5.0099999999999998 109.672 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.436 -0.793 . . . . 8.1600000000000001 110.044 -176.102 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.618 -0.593 . . . . 21.93 111.618 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 34.5 pt -96.21 37.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.908 0.385 . . . . 20.550000000000001 111.461 -176.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1811 ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' 1812 ' ' PRO . 20.4 t70 -77.93 114.34 40.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.446 -0.343 . . . . 19.41 110.351 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1812 ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' 1811 ' ' ASP . 83.0 Cg_endo -94.5 17.4 0.92 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.158 2.572 . . . . 18.440000000000001 113.064 -176.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 84.1 t80 58.35 85.84 0.09 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.455 0.645 . . . . 20.98 110.875 -177.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 2.9 m -140.99 32.5 1.76 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.654 0.74 . . . . 16.809999999999999 109.53 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 13.5 m120 -64.54 -70.21 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.159 -0.928 . . . . 16.420000000000002 111.311 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -97.25 -62.55 1.24 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.93 0.395 . . . . 14.41 110.282 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -157.32 140.2 15.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.74 -0.663 . . . . 12.27 110.247 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -95.1 -81.63 0.39 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.569 -0.287 . . . . 10.710000000000001 110.653 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 16.5 m -101.56 88.7 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.903 0.383 . . . . 8.9499999999999993 110.328 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -159.8 126.97 4.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 7.1900000000000004 110.705 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -74.81 -55.94 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.29 -0.414 . . . . 5.0 110.337 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 66.98 27.39 73.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.156 -0.545 . . . . 4.2199999999999998 112.825 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 12.6 m -131.81 117.79 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.892 0.377 . . . . 2.7200000000000002 110.777 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.581 ' HA ' ' SD ' ' A' 1827 ' ' MET . 60.2 t 75.53 -21.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.686 -0.688 . . . . 1.9199999999999999 112.359 174.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -55.05 -43.66 83.19 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.191 -0.528 . . . . 2.1000000000000001 112.716 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -84.34 -24.0 49.05 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.662 -0.78 . . . . 1.3899999999999999 111.756 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.634 ' HE2' ' HA ' ' A' 1887 ' ' ASN . 39.2 mtp -69.12 -45.25 70.63 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.37 -0.415 . . . . 1.79 110.918 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.4 p -64.1 -25.97 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 1.28 110.898 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.64 -45.15 84.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.411 -0.359 . . . . 0.87 110.446 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.0 m -61.31 -37.82 84.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 1.3500000000000001 110.411 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.445 ' O ' HG13 ' A' 1835 ' ' ILE . 68.2 mt -65.15 -42.21 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 1.0900000000000001 110.197 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 31.2 m -63.18 -47.95 80.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.997 -0.547 . . . . 1.1399999999999999 111.058 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.14 -39.97 88.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.118 0.485 . . . . 3.02 110.458 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.542 ' HB2' ' CB ' ' A' 1897 ' ' ALA . . . -60.24 -36.28 77.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.571 -0.741 . . . . 1.0600000000000001 111.382 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1835 ' ' ILE . . . . . 0.597 ' HA ' HE22 ' A' 1921 ' ' GLN . 43.3 mt -67.19 -51.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.073 0.463 . . . . 1.1899999999999999 110.493 176.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1836 ' ' ASN . . . . . 0.474 ' N ' HD21 ' A' 1836 ' ' ASN . 0.9 OUTLIER -64.83 -37.54 87.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.75 -0.659 . . . . 0.80000000000000004 111.868 -172.167 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -64.14 -35.87 82.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.616 0.246 . . . . 1.0 111.35 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 97.5 mt -79.38 -32.33 43.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 1.25 110.875 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.69 -32.57 74.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.709 . . . . 1.79 110.831 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -68.42 -57.25 6.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.526 . . . . 3.25 111.132 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 166.31 168.23 28.17 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.269 -0.967 . . . . 2.2799999999999998 112.768 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1842 ' ' PRO . . . . . 0.456 ' HD3' ' HZ1' ' A' 1917 ' ' LYS . 72.9 Cg_endo -87.58 122.58 1.72 Allowed 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.94 2.427 . . . . 3.0899999999999999 111.771 178.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 65.7 mtt -77.83 130.32 36.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.38 -0.373 . . . . 5.5099999999999998 110.034 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1844 ' ' GLY . . . . . 0.666 ' HA2' HG23 ' A' 1905 ' ' VAL . . . -75.24 70.96 1.81 Allowed Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.763 -0.653 . . . . 2.1499999999999999 113.134 -174.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -150.11 79.55 7.56 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 120.673 0.273 . . . . 3.0800000000000001 110.566 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.676 ' HA ' ' HH ' ' A' 1853 ' ' TYR . 55.7 Cg_endo -92.76 127.8 0.77 Allowed 'Trans proline' 0 N--CA 1.45 -1.038 0 C-N-CA 122.521 2.147 . . . . 1.3 111.948 172.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.709 ' H ' ' HH ' ' A' 1853 ' ' TYR . 46.9 mt-10 -78.0 -25.12 47.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.262 0.553 . . . . 2.8199999999999998 110.256 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -130.32 -162.91 10.9 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.769 -0.932 . . . . 1.21 110.769 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 31.5 m -94.81 172.67 8.02 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 117.135 0.468 . . . . 1.9399999999999999 110.054 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.487 ' CE2' ' HA3' ' A' 1971 ' ' GLY . 88.6 t80 -56.32 -39.55 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.896 0.379 . . . . 0.89000000000000001 110.92 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -61.62 -35.55 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.95 -0.568 . . . . 1.3400000000000001 111.403 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.03 -50.98 52.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.968 0.413 . . . . 1.71 110.147 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.709 ' HH ' ' H ' ' A' 1847 ' ' GLU . 49.4 m-85 -61.57 -37.07 82.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.605 . . . . 1.4299999999999999 111.172 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.656 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.3 tt0 -61.69 -54.4 43.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.622 -0.263 . . . . 1.21 110.708 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 28.5 m -57.05 -34.81 68.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.488 . . . . 2.1099999999999999 110.763 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 56.3 m -74.36 -49.36 23.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.305 -0.407 . . . . 1.1899999999999999 111.307 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.12 -35.8 81.93 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 112.03 0.381 . . . . 1.1000000000000001 112.03 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.74 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.3 m -64.81 -35.93 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.869 -0.733 . . . . 1.0700000000000001 110.027 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -66.89 -47.08 72.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.804 0.335 . . . . 3.6299999999999999 110.266 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.45 ' HB ' HD22 ' A' 1896 ' ' LEU . 4.4 m -63.37 -36.15 82.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.479 . . . . 1.1100000000000001 110.691 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.537 ' O ' HG13 ' A' 1864 ' ' ILE . . . -65.4 -45.17 85.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 1.0900000000000001 110.894 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.74 ' HG3' ' O ' ' A' 1858 ' ' VAL . 82.5 mttt -62.61 -32.63 73.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 1.8799999999999999 110.171 177.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.59 95.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 1.1499999999999999 111.278 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.702 HD13 HG22 ' A' 1961 ' ' VAL . 1.3 pp -75.75 -27.27 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.189 -0.604 . . . . 1.0800000000000001 109.871 177.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.778 ' HB1' HG12 ' A' 1961 ' ' VAL . . . -70.42 -37.74 74.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.25 -0.432 . . . . 0.98999999999999999 111.481 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.526 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.9 p -73.63 -24.39 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.33 0.586 . . . . 1.45 109.875 176.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.541 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.5 m -69.92 -53.56 17.37 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.877 -0.601 . . . . 1.0600000000000001 110.389 174.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.49 HG13 ' HA ' ' A' 1865 ' ' ALA . 2.6 p -62.64 -37.68 79.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.488 -0.324 . . . . 1.05 111.47 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.526 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -64.43 -29.94 70.99 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.089 0.471 . . . . 0.91000000000000003 109.795 178.201 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.86 -37.7 47.66 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 116.007 -0.542 . . . . 0.56999999999999995 110.338 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' 1867 ' ' THR . 86.9 mtp -63.66 -44.2 94.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.328 . . . . 1.25 110.94 -176.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.443 HG21 ' HA ' ' A' 1951 ' ' ILE . 7.8 p -62.61 -29.33 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 1.27 110.451 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 98.1 m -81.01 -55.12 4.99 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.104 -0.953 . . . . 1.1499999999999999 111.085 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.45 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 6.8 mmpt? -59.0 -30.72 68.2 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.972 -0.558 . . . . 1.97 112.472 -174.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.404 ' OG ' HD21 ' A' 1950 ' ' LEU . 50.9 m -55.35 -23.98 26.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.127 0.489 . . . . 1.74 111.676 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -76.33 -39.74 53.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.001 -0.545 . . . . 0.76000000000000001 111.529 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 41.6 p -109.48 -40.05 5.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.806 0.669 . . . . 1.71 112.806 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 69.0 m -133.35 95.65 18.01 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.202 -0.454 . . . . 1.4299999999999999 110.975 -167.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -78.1 -18.09 13.06 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.564 2.176 . . . . 1.02 113.166 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.73 -14.28 35.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.813 -0.355 . . . . 2.2400000000000002 110.872 -177.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -80.47 -10.74 59.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.033 0.444 . . . . 1.8899999999999999 110.499 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.658 HD13 HD13 ' A' 1937 ' ' LEU . 96.1 mt -68.78 -37.72 79.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.995 -0.548 . . . . 1.1399999999999999 111.08 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -60.87 -54.38 37.37 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-O 119.687 -0.507 . . . . 0.42999999999999999 112.95 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.97 -41.73 62.2 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.82 2.347 . . . . 1.0 112.645 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 75.8 mt -69.84 -44.0 70.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.541 -0.299 . . . . 1.0700000000000001 110.684 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -58.2 -32.42 68.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.087 0.47 . . . . 1.1000000000000001 109.848 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1887 ' ' ASN . . . . . 0.634 ' HA ' ' HE2' ' A' 1827 ' ' MET . 5.2 t-20 -68.43 -47.08 68.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.685 . . . . 1.4299999999999999 110.503 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -68.02 -44.66 76.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 1.0700000000000001 110.737 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.475 ' HB2' HG21 ' A' 1867 ' ' THR . 48.0 tp -53.52 -40.15 65.2 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.374 0.607 . . . . 1.05 109.818 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1890 ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' 1827 ' ' MET . 7.3 m -61.79 -54.23 45.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.89 -1.05 . . . . 1.0800000000000001 111.71 177.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 19.6 m -70.9 -38.66 73.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.139 -0.482 . . . . 1.72 111.998 -173.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.452 ' HB3' HG22 ' A' 1864 ' ' ILE . 2.7 m-20 -69.39 -29.77 67.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.86 -0.336 . . . . 0.80000000000000004 110.693 177.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1893 ' ' TYR . . . . . 0.401 ' CE2' HG23 ' A' 1831 ' ' ILE . 28.3 t80 -64.66 -46.07 84.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.899 -0.32 . . . . 1.05 110.141 173.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.96 -34.12 61.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.999 -0.619 . . . . 0.34000000000000002 111.953 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 81.9 mtt180 -66.32 -48.78 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.188 -0.301 . . . . 3.48 110.188 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.45 HD22 ' HB ' ' A' 1860 ' ' THR . 12.6 mt -56.93 -48.94 77.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.279 -0.419 . . . . 1.45 111.325 176.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1897 ' ' ALA . . . . . 0.579 ' HA ' HG11 ' A' 1920 ' ' VAL . . . -62.41 -32.79 73.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.159 -0.473 . . . . 1.1499999999999999 111.521 -177.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 35.1 t -72.64 -43.52 63.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.184 -0.462 . . . . 1.8899999999999999 110.212 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.445 ' O ' ' HD2' ' A' 1902 ' ' PRO . 18.7 mt-30 -71.72 -26.04 62.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 1.5600000000000001 111.686 -178.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.7 -27.32 65.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.379 -0.373 . . . . 1.0700000000000001 111.867 -177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.788 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 56.8 mtpt -63.03 -57.32 21.74 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.462 -0.335 . . . . 2.8500000000000001 111.327 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.788 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 16.1 Cg_exo -68.93 -29.7 27.53 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.954 1.769 . . . . 0.87 111.988 176.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.59 94.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 1.0700000000000001 110.838 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1904 ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' 1842 ' ' PRO . . . -62.37 -44.4 96.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.73 -0.668 . . . . 1.0800000000000001 111.488 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.666 HG23 ' HA2' ' A' 1844 ' ' GLY . 7.4 p -75.91 -24.54 16.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-O 120.725 0.298 . . . . 1.9199999999999999 111.369 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -73.67 -13.44 60.99 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.901 0.382 . . . . 1.1699999999999999 111.073 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -75.65 171.28 14.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.951 -0.568 . . . . 1.23 110.215 177.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -92.94 -2.82 55.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.361 0.6 . . . . 2.6699999999999999 110.439 -177.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.904 ' ND2' ' HB ' ' A' 1912 ' ' ILE . 0.2 OUTLIER -147.31 162.56 38.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.44 -0.8 . . . . 2.4900000000000002 111.093 -173.144 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -84.45 -34.95 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.141 -0.481 . . . . 2.2400000000000002 110.419 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -49.22 78.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.779 0.323 . . . . 2.4900000000000002 111.285 -177.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.904 ' HB ' ' ND2' ' A' 1909 ' ' ASN . 22.5 mm -62.55 -42.85 97.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.015 -0.539 . . . . 1.3899999999999999 110.475 178.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -64.18 -44.32 95.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.637 -0.792 . . . . 0.57999999999999996 111.965 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1914 ' ' ALA . . . . . 0.657 ' HA ' ' HE3' ' A' 1917 ' ' LYS . . . -61.02 -40.25 92.83 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 120.907 0.384 . . . . 1.22 110.435 177.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.401 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.6 t-160 -61.27 -34.98 76.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.606 -0.725 . . . . 2.1800000000000002 110.266 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' 1920 ' ' VAL . 91.2 mt -68.99 -54.67 18.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.021 0.439 . . . . 1.1299999999999999 110.451 175.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.657 ' HE3' ' HA ' ' A' 1914 ' ' ALA . 51.5 mtmt -56.29 -46.87 79.57 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.483 -0.78 . . . . 1.8100000000000001 111.019 -177.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -63.9 -31.79 73.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 2.52 111.858 -177.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.521 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 22.0 mmt180 -78.23 -24.22 47.08 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.832 -0.347 . . . . 3.1499999999999999 111.225 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.579 HG11 ' HA ' ' A' 1897 ' ' ALA . 56.0 t -73.74 -30.65 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.365 0.602 . . . . 1.1200000000000001 109.461 173.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.597 HE22 ' HA ' ' A' 1835 ' ' ILE . 19.7 mm-40 -62.68 -25.25 68.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.835 -0.621 . . . . 1.22 109.831 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.718 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 6.5 mm-40 -61.85 -47.46 84.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.51 -0.768 . . . . 1.49 110.815 177.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.669 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 0.9 OUTLIER -70.8 -27.57 63.99 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 108.635 -0.876 . . . . 1.3700000000000001 108.635 175.071 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1924 ' ' GLY . . . . . 0.43 ' O ' HD11 ' A' 1835 ' ' ILE . . . -56.28 -36.56 69.52 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.777 -0.725 . . . . 0.64000000000000001 111.948 177.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -93.44 -46.9 7.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.746 0.308 . . . . 0.85999999999999999 110.437 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -65.5 -52.89 35.52 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.226 -0.511 . . . . 0.28000000000000003 113.145 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.669 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 93.1 m -65.82 -33.9 76.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.697 0.248 . . . . 1.6599999999999999 110.812 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 32.1 t -58.32 -50.86 72.14 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.423 -0.584 . . . . 1.5 109.423 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.44 98.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.419 -0.81 . . . . 1.01 110.644 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.699 HD13 HG22 ' A' 1957 ' ' VAL . 0.5 OUTLIER -58.71 -50.13 75.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.023 -0.535 . . . . 1.0700000000000001 111.261 -177.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 18.8 m -69.3 -26.26 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.302 . . . . 1.0800000000000001 110.799 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.5 m -70.67 -46.11 63.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 1.4099999999999999 110.377 176.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -61.66 -37.24 83.33 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.23 -0.441 . . . . 1.6799999999999999 110.746 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.12 84.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.693 -0.231 . . . . 1.03 111.03 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -58.91 -40.75 95.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.619 -0.8 . . . . 0.42999999999999999 111.995 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.69 71.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.884 0.373 . . . . 1.3100000000000001 111.084 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.658 HD13 HD13 ' A' 1882 ' ' LEU . 3.3 tm? -70.04 -38.56 75.89 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.599 -0.519 . . . . 1.1200000000000001 109.599 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -71.81 -25.05 61.84 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.218 0.533 . . . . 1.46 110.989 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 48.7 t -71.92 -24.53 61.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.728 -0.669 . . . . 2.3599999999999999 110.147 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1940 ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' 1942 ' ' SER . 61.3 m -152.15 72.84 7.76 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.974 -0.38 . . . . 1.0 109.974 177.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.16 11.7 0.16 Allowed 'Trans proline' 0 N--CA 1.48 0.711 0 C-N-CA 123.385 2.723 . . . . 0.72999999999999998 113.568 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1942 ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' 1940 ' ' SER . 50.5 m -114.81 4.5 14.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.228 -0.442 . . . . 1.95 111.117 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1943 ' ' ASP . . . . . 0.415 ' OD1' ' HB ' ' A' 1946 ' ' THR . 0.7 OUTLIER -85.06 168.2 15.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.741 -0.466 . . . . 1.1599999999999999 109.741 178.216 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 96.3 t -117.09 -42.35 2.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.334 -0.394 . . . . 1.96 110.605 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' 1949 ' ' GLU . 33.6 t80 -63.83 -51.47 64.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.013 -0.539 . . . . 2.25 111.705 -174.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.415 ' HB ' ' OD1' ' A' 1943 ' ' ASP . 98.2 m -66.09 -39.75 90.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.139 -0.482 . . . . 1.1200000000000001 110.409 -176.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -61.6 -43.99 97.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.733 -0.667 . . . . 1.8500000000000001 110.159 175.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' 1952 ' ' GLU . 54.3 tttm -60.7 -41.54 95.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 3.1899999999999999 110.569 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' 1945 ' ' TYR . 32.5 mt-10 -58.75 -38.01 77.48 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.531 -0.304 . . . . 1.53 110.841 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.488 ' HG ' HD22 ' A' 1930 ' ' LEU . 8.9 tt -67.59 -42.04 83.11 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.034 -0.358 . . . . 1.0900000000000001 110.034 178.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.61 ' O ' ' HG3' ' A' 1955 ' ' ARG . 97.6 mt -56.48 -49.52 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 1.1100000000000001 109.987 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' 1948 ' ' LYS . 61.0 mm-40 -63.42 -42.18 98.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 2.1099999999999999 110.539 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.484 ' O ' HG21 ' A' 1957 ' ' VAL . 34.2 t -62.37 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 1.6799999999999999 110.613 -178.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.33 87.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 1.0800000000000001 110.658 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' A' 1951 ' ' ILE . 78.5 mtp180 -58.93 -44.49 91.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 3.7200000000000002 110.522 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' 1960 ' ' LYS . 23.9 mtm180 -69.39 -39.31 78.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 3.6299999999999999 110.975 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.699 HG22 HD13 ' A' 1930 ' ' LEU . 97.4 t -64.01 -42.68 96.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.479 -0.328 . . . . 1.0600000000000001 110.84 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 57.4 m -57.42 -36.75 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 1.6599999999999999 110.87 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' 1955 ' ' ARG . 43.3 mt-10 -67.95 -31.38 71.08 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.134 0.493 . . . . 1.8600000000000001 110.837 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.718 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.3 mmtt -70.82 -37.17 73.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 1.4199999999999999 110.086 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.778 HG12 ' HB1' ' A' 1865 ' ' ALA . 20.4 t -59.77 -46.71 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.263 -0.426 . . . . 1.0800000000000001 110.36 177.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 18.2 m -56.39 -35.42 67.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.732 -0.667 . . . . 1.54 110.743 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.521 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 29.3 m80 -72.97 -41.83 63.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 1.8899999999999999 111.518 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' 1960 ' ' LYS . 91.1 t -62.08 -48.88 86.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.854 0.359 . . . . 1.1200000000000001 110.43 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.19 -42.99 87.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.911 -0.586 . . . . 1.0800000000000001 110.723 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.36 -37.74 83.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 1.1200000000000001 111.187 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.73 96.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.431 . . . . 1.0900000000000001 111.028 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.656 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.8 mm? -65.31 -48.43 73.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 1.1000000000000001 110.682 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1969 ' ' GLN . . . . . 0.63 ' N ' HE21 ' A' 1969 ' ' GLN . 0.0 OUTLIER -60.87 -24.98 66.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.926 -0.579 . . . . 1.7 111.259 -176.349 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -66.78 -22.37 66.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 1.46 110.804 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1971 ' ' GLY . . . . . 0.487 ' HA3' ' CE2' ' A' 1850 ' ' PHE . . . -80.76 -16.36 75.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.864 -0.684 . . . . 2.0 112.435 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1972 ' ' ASN . . . . . 0.422 HD21 ' HA ' ' A' 1972 ' ' ASN . 5.3 m120 -126.32 86.58 2.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.341 0.591 . . . . 5.0099999999999998 110.751 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.313 -0.851 . . . . 8.1600000000000001 109.752 177.659 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.132 0 N-CA-C 112.503 -0.239 . . . . 21.93 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1810 ' ' ILE . . . . . 0.427 ' H ' HG13 ' A' 1810 ' ' ILE . 2.3 pp -84.62 17.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.427 0.632 . . . . 20.550000000000001 111.019 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1811 ' ' ASP . . . . . 0.47 ' HB2' ' HD2' ' A' 1812 ' ' PRO . 8.5 p-10 -133.31 178.41 1.78 Allowed Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.098 -0.956 . . . . 19.41 109.485 -171.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1812 ' ' PRO . . . . . 0.47 ' HD2' ' HB2' ' A' 1811 ' ' ASP . 52.4 Cg_exo -56.28 -5.96 1.22 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 123.256 2.637 . . . . 18.440000000000001 114.287 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 91.1 t80 -63.8 -22.64 67.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.471 0.653 . . . . 20.98 109.525 170.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1814 ' ' THR . . . . . 0.456 HG23 ' HB1' ' A' 1821 ' ' ALA . 81.5 m -132.14 112.43 12.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.485 -0.779 . . . . 16.809999999999999 109.922 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 17.2 m120 -115.07 179.4 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.029 0.442 . . . . 16.420000000000002 111.224 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -109.11 -30.02 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.652 -0.703 . . . . 14.41 110.031 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -60.4 142.0 55.57 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.756 -0.657 . . . . 12.27 111.397 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . 67.62 -79.81 0.04 OUTLIER 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.465 -0.789 . . . . 10.710000000000001 111.001 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.4 m -140.17 112.43 7.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.521 -0.308 . . . . 8.9499999999999993 110.187 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -63.95 146.72 53.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.581 -0.525 . . . . 7.1900000000000004 109.581 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1821 ' ' ALA . . . . . 0.456 ' HB1' HG23 ' A' 1814 ' ' THR . . . -63.58 -60.34 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.921 0.391 . . . . 5.0 111.196 -177.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 79.7 -23.06 3.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 4.2199999999999998 111.984 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1823 ' ' VAL . . . . . 0.461 HG13 HG22 ' A' 1824 ' ' VAL . 49.9 t 67.98 -70.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 123.502 0.721 . . . . 2.7200000000000002 111.229 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.461 HG22 HG13 ' A' 1823 ' ' VAL . 46.9 t -112.4 0.13 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.258 0.551 . . . . 1.9199999999999999 109.89 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -73.9 48.93 1.71 Allowed Glycine 0 CA--C 1.521 0.468 0 CA-C-N 115.831 -0.622 . . . . 2.1000000000000001 113.263 -177.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -158.3 -52.26 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.908 -0.877 . . . . 1.3899999999999999 110.908 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.417 ' HE1' ' HA ' ' A' 1887 ' ' ASN . 26.6 ptt? -79.04 -14.3 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.791 0.329 . . . . 1.79 110.872 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1828 ' ' VAL . . . . . 0.403 ' HB ' HG13 ' A' 1824 ' ' VAL . 12.5 p -63.97 -26.79 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 1.28 109.973 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.98 -34.7 76.65 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.566 -0.743 . . . . 0.87 110.51 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.6 m -65.34 -36.73 84.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.746 -0.661 . . . . 1.3500000000000001 110.88 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.403 ' O ' HG13 ' A' 1835 ' ' ILE . 52.6 mt -67.44 -37.27 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.365 . . . . 1.0900000000000001 110.33 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 12.4 m -65.03 -36.11 83.32 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.074 0.464 . . . . 1.1399999999999999 110.515 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.64 -40.03 95.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 3.02 110.171 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1834 ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.46 93.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.615 -0.72 . . . . 1.0600000000000001 111.095 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1835 ' ' ILE . . . . . 0.454 HD12 ' O ' ' A' 1924 ' ' GLY . 44.6 mt -61.36 -40.56 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.29 0.567 . . . . 1.1899999999999999 110.479 178.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1836 ' ' ASN . . . . . 0.575 ' O ' ' HG2' ' A' 1840 ' ' GLU . 19.7 m-80 -69.37 -48.71 60.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.025 -0.534 . . . . 0.80000000000000004 111.644 -177.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -62.5 -34.22 76.44 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.938 0.347 . . . . 1.0 111.938 -175.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 96.6 mt -74.61 -26.37 59.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.757 0.313 . . . . 1.25 111.103 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.24 -41.89 56.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 1.79 110.422 176.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1840 ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' 1836 ' ' ASN . 12.5 mm-40 -57.48 -51.81 67.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.765 -0.652 . . . . 3.25 111.188 -177.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 160.82 -167.42 35.88 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.229 -0.986 . . . . 2.2799999999999998 112.94 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -84.39 -165.99 0.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.123 2.548 . . . . 3.0899999999999999 112.025 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 53.2 ttp -101.24 -73.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.568 -0.287 . . . . 5.5099999999999998 110.381 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 137.09 160.17 8.52 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.888 -0.672 . . . . 2.1499999999999999 112.363 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 8.2 p-10 27.46 75.38 0.33 Allowed Pre-proline 0 N--CA 1.473 0.709 0 C-N-CA 124.718 1.207 . . . . 3.0800000000000001 112.971 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -65.78 131.32 27.11 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.463 2.108 . . . . 1.3 111.707 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -79.74 2.59 22.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 2.8199999999999998 111.329 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -140.78 166.03 26.02 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.445 -0.662 . . . . 1.21 111.445 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 37.6 t -76.0 168.76 19.45 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.97 -0.381 . . . . 1.9399999999999999 109.97 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.568 ' HE1' HD13 ' A' 1916 ' ' ILE . 73.0 t80 -55.47 -40.32 71.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.89000000000000001 110.47 178.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 5.7 p -55.56 -38.21 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.796 -0.638 . . . . 1.3400000000000001 111.475 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.48 -55.93 15.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.329 . . . . 1.71 110.782 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -63.71 -34.44 77.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 1.4299999999999999 110.972 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.607 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 51.4 tt0 -59.63 -57.23 13.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.213 -0.449 . . . . 1.21 110.72 176.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 56.9 m -58.53 -39.84 81.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.915 -0.584 . . . . 2.1099999999999999 111.14 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 23.8 m -65.84 -46.69 77.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.834 0.35 . . . . 1.1899999999999999 110.895 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 67.8 mtp -66.53 -43.46 85.1 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.183 0.438 . . . . 1.1000000000000001 112.183 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.68 ' O ' ' HG3' ' A' 1862 ' ' LYS . 24.4 m -64.12 -33.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 119.964 -0.695 . . . . 1.0700000000000001 110.473 -178.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -62.01 -51.42 68.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 3.6299999999999999 110.451 175.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.517 ' O ' HG21 ' A' 1864 ' ' ILE . 21.5 m -64.7 -35.77 82.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 1.1100000000000001 111.099 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.521 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.66 -47.51 80.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 1.0900000000000001 110.829 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.68 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.0 mttt -65.28 -29.23 69.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.943 0.402 . . . . 1.8799999999999999 110.282 176.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.59 -44.36 78.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 1.1499999999999999 110.993 176.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.58 HD11 HG23 ' A' 1961 ' ' VAL . 1.4 pp -74.65 -23.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.514 -0.474 . . . . 1.0800000000000001 110.035 178.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.741 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.59 -38.72 80.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.168 -0.469 . . . . 0.98999999999999999 111.361 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.7 p -75.01 -25.11 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.45 -0.5 . . . . 1.45 110.01 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.544 ' O ' ' HG3' ' A' 1871 ' ' MET . 91.8 m -64.78 -56.52 13.06 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.058 -0.519 . . . . 1.0600000000000001 110.792 173.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.673 HG23 HD11 ' A' 1930 ' ' LEU . 2.4 p -60.59 -39.51 81.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.455 -0.339 . . . . 1.05 111.378 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1869 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.76 -25.41 65.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.49 . . . . 0.91000000000000003 110.012 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -75.62 -38.3 59.09 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.461 -0.57 . . . . 0.56999999999999995 109.461 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.544 ' HG3' ' O ' ' A' 1867 ' ' THR . 85.4 mtp -62.24 -45.43 93.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.866 -0.606 . . . . 1.25 111.364 -175.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' 1954 ' ' ALA . 7.1 p -60.17 -43.85 94.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.168 0.509 . . . . 1.27 110.855 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 21.0 m -69.57 -43.01 73.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.511 -0.768 . . . . 1.1499999999999999 111.232 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.545 ' HG3' HD13 ' A' 1885 ' ' LEU . 5.3 mmpt? -68.95 -32.41 71.98 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.61 -0.268 . . . . 1.97 111.427 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 26.0 t -60.49 -24.36 65.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.882 0.372 . . . . 1.74 110.483 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -81.52 -36.09 29.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.895 -0.593 . . . . 0.76000000000000001 111.826 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 25.8 p -107.62 -36.99 6.29 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.833 0.679 . . . . 1.71 112.833 -172.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 72.0 m -142.01 88.47 9.27 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.993 -0.549 . . . . 1.4299999999999999 110.116 -171.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.18 -29.29 55.79 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.507 2.138 . . . . 1.02 113.214 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.8 -18.62 53.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.963 0.411 . . . . 2.2400000000000002 110.499 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.39 -11.19 60.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.093 -0.503 . . . . 1.8899999999999999 110.511 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.682 ' HB3' ' HB2' ' A' 1934 ' ' ALA . 96.4 mt -69.3 -28.4 66.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.766 -0.652 . . . . 1.1399999999999999 110.861 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1883 ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.62 -55.89 24.56 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.774 -0.727 . . . . 0.42999999999999999 113.103 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' 1883 ' ' GLY . 12.9 Cg_endo -59.14 -37.46 92.06 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.444 2.096 . . . . 1.0 112.571 175.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.545 HD13 ' HG3' ' A' 1874 ' ' LYS . 80.1 mt -71.35 -42.36 68.6 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.155 -0.218 . . . . 1.0700000000000001 111.089 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -59.66 -33.44 71.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.24 0.543 . . . . 1.1000000000000001 109.723 174.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1887 ' ' ASN . . . . . 0.417 ' HA ' ' HE1' ' A' 1827 ' ' MET . 1.9 t-20 -69.16 -43.71 73.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.593 -0.73 . . . . 1.4299999999999999 110.338 178.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -67.8 -42.55 81.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 1.0700000000000001 110.984 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 36.4 tp -60.08 -32.31 70.83 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.872 -0.418 . . . . 1.05 109.872 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1890 ' ' THR . . . . . 0.403 HG21 ' HB2' ' A' 1827 ' ' MET . 53.7 m -72.9 -49.82 27.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.964 -0.562 . . . . 1.0800000000000001 111.434 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 54.6 p -67.62 -50.06 59.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.406 0.622 . . . . 1.72 111.293 -174.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.16 -31.32 69.89 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.119 -0.946 . . . . 0.80000000000000004 111.482 -176.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1893 ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 43.6 t80 -64.91 -40.27 94.82 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.604 -0.438 . . . . 1.05 110.082 174.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.98 -31.1 58.3 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.809 -0.632 . . . . 0.34000000000000002 112.109 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -68.04 -45.47 73.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 3.48 110.17 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' 1861 ' ' ALA . 20.1 mt -61.36 -41.38 96.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.402 -0.363 . . . . 1.45 110.896 177.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.38 98.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.183 -0.462 . . . . 1.1499999999999999 111.426 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 5.7 p -77.56 -36.55 52.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.527 -0.306 . . . . 1.8899999999999999 111.419 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.538 ' O ' ' HD2' ' A' 1902 ' ' PRO . 20.9 mt-30 -74.74 -24.11 58.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.765 -0.198 . . . . 1.5600000000000001 111.391 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.83 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.76 0.314 . . . . 1.0700000000000001 111.476 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.816 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 7.9 mmmm -58.74 -53.32 67.5 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 116.302 -0.408 . . . . 2.8500000000000001 111.507 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.816 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 11.0 Cg_exo -73.11 -28.84 12.37 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.26 1.973 . . . . 0.87 112.305 174.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.05 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 1.0700000000000001 110.768 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1904 ' ' ALA . . . . . 0.458 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -59.4 -46.48 88.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.733 -0.667 . . . . 1.0800000000000001 111.416 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 12.4 p -75.57 -23.36 16.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 1.9199999999999999 111.044 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.53 -20.62 56.71 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.77 0.319 . . . . 1.1699999999999999 111.134 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -72.33 139.77 48.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.237 -0.438 . . . . 1.23 110.259 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.11 -28.61 18.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.048 0.451 . . . . 2.6699999999999999 110.094 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.466 ' HB3' ' CG1' ' A' 1912 ' ' ILE . 51.7 t-20 -87.69 122.24 31.12 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.322 -0.992 . . . . 2.4900000000000002 108.322 172.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.28 -36.19 77.26 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.401 -0.363 . . . . 2.2400000000000002 111.457 -173.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.67 -35.19 80.06 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.432 -0.349 . . . . 2.4900000000000002 111.047 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' 1916 ' ' ILE . 41.6 mm -60.67 -51.02 77.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.741 -0.466 . . . . 1.3899999999999999 109.741 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1913 ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -60.41 -42.09 98.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.978 -0.629 . . . . 0.57999999999999996 112.585 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.4 89.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 1.22 110.609 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.513 ' O ' ' HG2' ' A' 1919 ' ' ARG . 24.0 m-70 -66.42 -40.16 89.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.69 -0.686 . . . . 2.1800000000000002 111.335 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.568 HD13 ' HE1' ' A' 1850 ' ' PHE . 74.0 mt -53.09 -54.65 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.785 0.326 . . . . 1.1299999999999999 110.98 178.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.54 ' O ' ' HG3' ' A' 1921 ' ' GLN . 50.4 mtmt -59.08 -47.59 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 1.8100000000000001 110.566 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -64.53 -34.74 78.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.529 -0.76 . . . . 2.52 112.023 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.584 ' HB3' HG21 ' A' 1964 ' ' VAL . 29.9 mmt180 -66.21 -40.07 90.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 3.1499999999999999 110.567 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' 1916 ' ' ILE . 60.7 t -65.23 -27.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.469 0.652 . . . . 1.1200000000000001 110.098 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' 1917 ' ' LYS . 18.0 mt-30 -71.39 -24.73 62.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.836 -0.62 . . . . 1.22 111.365 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.73 -42.39 83.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.935 -0.765 . . . . 1.49 108.935 171.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.725 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.6 mt -74.13 -26.79 60.53 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.634 -0.712 . . . . 1.3700000000000001 109.886 174.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1924 ' ' GLY . . . . . 0.454 ' O ' HD12 ' A' 1835 ' ' ILE . . . -57.91 -33.24 67.98 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.015 -1.088 . . . . 0.64000000000000001 111.456 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -91.37 -46.59 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.669 0.271 . . . . 0.85999999999999999 110.635 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.55 -50.04 46.19 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.085 -0.579 . . . . 0.28000000000000003 113.215 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.725 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 88.2 m -65.41 -37.25 86.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.703 0.287 . . . . 1.6599999999999999 110.436 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 30.9 t -61.0 -46.5 90.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.201 0.524 . . . . 1.5 110.175 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.22 90.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.644 -0.707 . . . . 1.01 110.725 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.673 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.84 -52.87 62.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 1.0700000000000001 110.871 -178.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.9 m -63.84 -37.63 80.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.83 0.348 . . . . 1.0800000000000001 110.721 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.3 m -65.33 -42.01 93.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.071 0.462 . . . . 1.4099999999999999 110.658 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.522 ' HE3' HG21 ' A' 1946 ' ' THR . 37.4 tptt -67.22 -40.69 86.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.914 -0.585 . . . . 1.6799999999999999 110.642 -178.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1934 ' ' ALA . . . . . 0.682 ' HB2' ' HB3' ' A' 1882 ' ' LEU . . . -59.1 -35.76 73.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 1.03 111.054 176.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -62.35 -41.88 99.73 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.555 -0.831 . . . . 0.42999999999999999 111.522 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.02 -31.47 64.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.746 0.308 . . . . 1.3100000000000001 111.047 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' 1937 ' ' LEU . 2.7 tm? -70.42 -31.17 68.25 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.505 -0.554 . . . . 1.1200000000000001 109.505 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -76.13 -25.83 55.73 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.026 0.441 . . . . 1.46 110.858 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 49.6 t -76.28 -17.85 59.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.824 -0.625 . . . . 2.3599999999999999 110.011 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 26.1 m -153.16 70.02 6.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 1.0 109.965 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.76 -13.19 38.64 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.813 2.342 . . . . 0.72999999999999998 113.047 -173.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.3 m -95.18 -0.69 52.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.962 -0.563 . . . . 1.95 111.047 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -87.58 107.94 18.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.218 0.532 . . . . 1.1599999999999999 110.211 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 61.0 t -68.97 -31.85 52.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.647 -0.706 . . . . 1.96 111.095 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 61.5 t80 -64.46 -48.51 75.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.509 -0.314 . . . . 2.25 110.537 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.522 HG21 ' HE3' ' A' 1933 ' ' LYS . 41.8 m -59.25 -42.92 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 1.1200000000000001 110.597 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' 1951 ' ' ILE . 29.0 ttpp -63.37 -42.42 98.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 1.8500000000000001 110.111 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.4 -42.84 88.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 3.1899999999999999 110.699 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.492 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 42.4 mt-10 -65.18 -41.47 94.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.952 -0.567 . . . . 1.53 110.778 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.59 -39.71 84.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.61 -0.268 . . . . 1.0900000000000001 110.615 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' 1947 ' ' LYS . 96.7 mt -55.37 -45.21 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.983 0.42 . . . . 1.1100000000000001 109.892 174.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.608 ' O ' ' HG3' ' A' 1956 ' ' ARG . 23.7 mm-40 -59.18 -52.67 64.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.916 -0.583 . . . . 2.1099999999999999 111.04 174.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.539 ' O ' HG21 ' A' 1957 ' ' VAL . 71.7 m -52.91 -47.21 68.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.309 -0.405 . . . . 1.6799999999999999 110.876 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1954 ' ' ALA . . . . . 0.447 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -58.82 -43.89 90.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.383 -0.371 . . . . 1.0800000000000001 111.65 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' 1955 ' ' ARG . 48.3 mtp180 -60.43 -46.56 89.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.368 0.604 . . . . 3.7200000000000002 110.227 177.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.608 ' HG3' ' O ' ' A' 1952 ' ' GLU . 92.7 mtt180 -68.01 -39.23 83.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.133 -0.94 . . . . 3.6299999999999999 111.31 -174.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.571 ' HB ' HG21 ' A' 1868 ' ' VAL . 95.9 t -63.21 -44.42 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.728 0.299 . . . . 1.0600000000000001 110.347 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 32.6 t -57.51 -38.45 74.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.116 -0.493 . . . . 1.6599999999999999 110.372 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.25 -35.41 77.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.928 -0.578 . . . . 1.8600000000000001 110.968 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.576 ' O ' HG22 ' A' 1964 ' ' VAL . 28.2 mmtp -69.46 -35.94 76.1 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.002 -0.279 . . . . 1.4199999999999999 110.515 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.741 HG11 ' HB2' ' A' 1865 ' ' ALA . 51.1 t -57.3 -44.23 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.967 0.413 . . . . 1.0800000000000001 110.126 175.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 30.3 t -59.21 -36.19 74.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.7 -0.682 . . . . 1.54 110.355 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 43.3 m170 -70.92 -38.48 72.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 1.8899999999999999 110.279 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.584 HG21 ' HB3' ' A' 1919 ' ' ARG . 56.9 t -62.0 -52.11 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 1.1200000000000001 110.499 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 63.9 mt -55.28 -43.89 75.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.657 -0.701 . . . . 1.0800000000000001 110.714 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.48 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 1.1200000000000001 111.566 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1967 ' ' ALA . . . . . 0.451 ' HB1' ' HG3' ' A' 1919 ' ' ARG . . . -65.94 -40.32 91.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.37 . . . . 1.0900000000000001 110.743 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.607 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -68.53 -49.43 59.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 1.1000000000000001 110.369 177.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.79 -24.83 66.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.309 -0.405 . . . . 1.7 111.537 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -69.75 -23.2 63.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.897 0.38 . . . . 1.46 110.805 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -75.89 -6.61 82.55 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.923 -0.581 . . . . 2.0 112.475 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 15.8 m120 -90.96 -2.96 57.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.87 0.366 . . . . 5.0099999999999998 110.032 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 . . . . . 0 C--O 1.248 0.989 0 CA-C-N 115.036 -0.984 . . . . 8.1600000000000001 111.19 -178.796 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.778 -0.529 . . . . 21.93 111.778 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 10.7 tp -105.9 5.17 10.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.711 0.767 . . . . 20.550000000000001 109.74 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -128.63 127.13 23.55 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.227 -0.897 . . . . 19.41 109.927 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.52 -7.97 21.77 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.017 2.478 . . . . 18.440000000000001 114.036 -173.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.09 -34.76 79.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.099 0.476 . . . . 20.98 110.147 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 13.5 t -101.35 166.78 10.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.014 -0.539 . . . . 16.809999999999999 109.666 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 23.0 p30 -67.03 164.97 16.64 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.432 0.53 . . . . 16.420000000000002 112.432 -174.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 28.5 tt0 58.51 72.37 0.53 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.878 -1.055 . . . . 14.41 111.282 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -152.23 86.93 1.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 12.27 110.66 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -155.65 -174.86 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.252 -0.431 . . . . 10.710000000000001 110.603 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.5 m -69.82 119.53 14.19 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.519 -0.548 . . . . 8.9499999999999993 109.519 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 65.86 -81.02 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.901 0.75 . . . . 7.1900000000000004 110.747 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -170.19 155.04 5.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.365 -0.38 . . . . 5.0 110.076 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -98.67 12.61 62.84 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.712 -0.756 . . . . 4.2199999999999998 111.808 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 25.3 m -83.07 -169.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.926 0.393 . . . . 2.7200000000000002 110.959 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.698 ' HA ' ' HE2' ' A' 1827 ' ' MET . 62.0 t -83.53 -33.84 10.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.142 -0.481 . . . . 1.9199999999999999 110.923 -176.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -53.43 112.59 2.44 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.849 -0.691 . . . . 2.1000000000000001 111.614 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 124.59 -61.05 0.6 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.924 -0.655 . . . . 1.3899999999999999 111.857 -174.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.698 ' HE2' ' HA ' ' A' 1824 ' ' VAL . 25.7 ptt? -79.39 -21.5 45.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.741 0.305 . . . . 1.79 110.798 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1828 ' ' VAL . . . . . 0.593 ' HB ' HG13 ' A' 1824 ' ' VAL . 14.5 p -60.57 -23.56 28.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.275 0.559 . . . . 1.28 110.287 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.02 -36.69 73.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.525 -0.761 . . . . 0.87 110.945 176.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 15.8 m -64.61 -34.7 78.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 1.3500000000000001 110.672 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.406 HG21 ' OG ' ' A' 1928 ' ' SER . 54.7 mt -68.12 -46.08 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.55 . . . . 1.0900000000000001 109.613 177.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 20.9 m -62.47 -48.03 81.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.425 -0.807 . . . . 1.1399999999999999 111.133 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -59.72 -38.16 80.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 3.02 110.861 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' 1897 ' ' ALA . . . -61.42 -38.12 85.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 1.0600000000000001 111.33 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.94 -44.44 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.06 0.457 . . . . 1.1899999999999999 110.718 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -63.15 -49.41 74.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.769 -0.65 . . . . 0.80000000000000004 111.684 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -67.2 -33.07 74.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.544 0.572 . . . . 1.0 112.544 -175.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.549 HD13 ' HB ' ' A' 1920 ' ' VAL . 66.4 mt -61.84 -43.79 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.065 0.394 . . . . 1.25 112.065 -175.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -78.65 -26.7 45.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.849 0.357 . . . . 1.79 110.478 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -68.96 -48.41 63.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.045 -0.525 . . . . 3.25 110.25 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 107.19 164.71 22.06 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.815 -0.707 . . . . 2.2799999999999998 112.257 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1842 ' ' PRO . . . . . 0.496 ' HG3' ' O ' ' A' 1901 ' ' LYS . 65.1 Cg_endo -86.15 -164.66 0.23 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 123.093 2.529 . . . . 3.0899999999999999 112.159 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 58.7 mtm -94.84 18.54 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.074 0.464 . . . . 5.5099999999999998 109.931 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1844 ' ' GLY . . . . . 0.725 ' HA2' HG21 ' A' 1905 ' ' VAL . . . 66.55 39.63 93.98 Favored Glycine 0 CA--C 1.506 -0.513 0 C-N-CA 120.79 -0.719 . . . . 2.1499999999999999 111.374 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -117.61 81.63 14.87 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 121.135 0.493 . . . . 3.0800000000000001 111.836 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.47 ' HA ' ' HB3' ' A' 1902 ' ' PRO . 60.0 Cg_endo -83.81 120.68 2.74 Favored 'Trans proline' 0 N--CA 1.449 -1.108 0 C-N-CA 121.923 1.749 . . . . 1.3 111.253 170.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.44 -33.16 73.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.781 -0.645 . . . . 2.8199999999999998 109.744 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -131.29 -169.71 12.48 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.511 -0.768 . . . . 1.21 111.738 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 20.0 t -82.96 159.29 22.29 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.674 -0.491 . . . . 1.9399999999999999 109.674 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 68.3 t80 -55.16 -38.12 67.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.345 . . . . 0.89000000000000001 111.069 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.3 p -53.87 -41.74 50.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 1.3400000000000001 111.517 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.67 -43.73 83.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.422 . . . . 1.71 110.167 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -66.73 -44.23 82.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.255 -0.43 . . . . 1.4299999999999999 110.845 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.33 -53.91 53.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.014 -0.539 . . . . 1.21 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 5.9 t -62.96 -27.61 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 2.1099999999999999 111.054 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 34.7 m -78.51 -51.51 9.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.843 0.354 . . . . 1.1899999999999999 110.911 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.1 mtp -62.38 -36.15 81.37 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.331 0.493 . . . . 1.1000000000000001 112.331 -174.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.683 ' O ' ' HG3' ' A' 1862 ' ' LYS . 28.5 m -63.89 -30.51 50.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 C-N-CA 120.355 -0.538 . . . . 1.0700000000000001 110.308 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -77.05 -43.63 33.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 3.6299999999999999 110.167 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.452 ' HB ' ' CD2' ' A' 1896 ' ' LEU . 4.2 m -63.7 -35.01 79.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.023 -0.535 . . . . 1.1100000000000001 110.925 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.53 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.74 -43.6 92.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 1.0900000000000001 110.529 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.683 ' HG3' ' O ' ' A' 1858 ' ' VAL . 60.6 mttm -62.62 -34.17 76.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.052 0.454 . . . . 1.8799999999999999 110.148 175.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.06 89.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 1.1499999999999999 111.331 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.809 HD13 HG22 ' A' 1961 ' ' VAL . 1.5 pp -72.39 -28.59 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.248 -0.581 . . . . 1.0800000000000001 109.95 178.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.601 ' HB2' HG13 ' A' 1961 ' ' VAL . . . -66.36 -41.0 90.14 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 116.1 -0.5 . . . . 0.98999999999999999 111.308 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.4 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.8 p -73.21 -24.98 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.46 -0.496 . . . . 1.45 110.305 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.579 ' O ' ' HG3' ' A' 1871 ' ' MET . 89.6 m -69.19 -53.98 17.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.385 -0.371 . . . . 1.0600000000000001 110.676 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.604 HG22 ' HB ' ' A' 1957 ' ' VAL . 2.4 p -61.48 -40.88 87.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.595 0.236 . . . . 1.05 111.21 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -66.2 -26.51 67.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.91000000000000003 109.951 179.365 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' 1869 ' ' GLN . 8.7 tp10 -77.96 -38.2 45.72 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.754 -0.462 . . . . 0.56999999999999995 109.754 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.579 ' HG3' ' O ' ' A' 1867 ' ' THR . 85.4 mtp -61.35 -46.84 88.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.568 -0.287 . . . . 1.25 110.918 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 7.5 p -61.27 -37.25 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.446 0.641 . . . . 1.27 110.769 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 78.7 m -75.25 -45.64 38.82 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.358 -0.837 . . . . 1.1499999999999999 110.977 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.764 ' HE3' ' HA ' ' A' 1874 ' ' LYS . 0.0 OUTLIER -65.66 -31.32 72.28 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 116.229 -0.441 . . . . 1.97 111.377 179.538 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 22.6 t -60.51 -24.67 65.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.077 0.465 . . . . 1.74 110.719 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -81.11 -38.53 27.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 0.76000000000000001 111.387 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 37.6 p -99.66 -41.7 7.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.453 0.538 . . . . 1.71 112.453 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.2 t -148.55 94.13 4.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.841 0.353 . . . . 1.4299999999999999 110.636 -173.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.438 ' HB3' ' CD1' ' A' 1937 ' ' LEU . 23.7 Cg_exo -64.92 -13.11 37.74 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.65 2.233 . . . . 1.02 111.606 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -72.33 -25.47 61.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.775 -0.648 . . . . 2.2400000000000002 110.447 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' 1885 ' ' LEU . 42.8 mm-40 -78.53 -15.3 58.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.805 -0.634 . . . . 1.8899999999999999 110.991 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.46 ' HB3' ' HB3' ' A' 1934 ' ' ALA . 94.2 mt -63.72 -30.67 71.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 1.1399999999999999 111.666 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -67.14 -56.35 12.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.509 -0.853 . . . . 0.42999999999999999 113.028 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.409 ' HD2' ' O ' ' A' 1881 ' ' GLU . 38.6 Cg_exo -62.24 -28.05 78.86 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.303 2.002 . . . . 1.0 112.584 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.561 HD12 ' HG3' ' A' 1874 ' ' LYS . 90.4 mt -74.59 -42.38 58.8 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.884 -0.326 . . . . 1.0700000000000001 110.313 176.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.91 85.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.122 -0.696 . . . . 1.1000000000000001 109.122 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 9.7 m120 -57.13 -47.69 80.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.174 -0.921 . . . . 1.4299999999999999 110.365 174.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1888 ' ' GLN . . . . . 0.469 ' HG2' ' OD2' ' A' 1892 ' ' ASP . 49.3 tt0 -72.57 -43.32 63.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.608 -0.724 . . . . 1.0700000000000001 111.304 -175.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 51.5 tp -57.82 -38.71 76.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.113 0.482 . . . . 1.05 109.773 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 67.2 m -64.58 -46.91 80.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.615 -0.721 . . . . 1.0800000000000001 111.114 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 48.3 p -71.81 -44.47 63.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.934 0.397 . . . . 1.72 111.292 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.566 ' HB3' HG21 ' A' 1864 ' ' ILE . 69.4 m-20 -59.05 -43.88 91.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.80000000000000004 110.634 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1893 ' ' TYR . . . . . 0.459 ' HH ' ' CA ' ' A' 1924 ' ' GLY . 77.6 t80 -59.77 -41.39 90.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 1.05 110.784 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.55 -35.93 75.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.971 -0.633 . . . . 0.34000000000000002 112.333 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -68.75 -37.8 79.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.005 0.431 . . . . 3.48 110.586 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.452 ' CD2' ' HB ' ' A' 1860 ' ' THR . 26.5 mt -66.1 -48.81 69.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.368 . . . . 1.45 110.523 174.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1897 ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' 1834 ' ' ALA . . . -67.15 -25.94 66.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.777 -0.647 . . . . 1.1499999999999999 112.426 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 11.7 p -82.06 -40.76 21.54 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.86 -0.336 . . . . 1.8899999999999999 110.94 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.468 ' O ' ' HD2' ' A' 1902 ' ' PRO . 20.2 mt-30 -76.89 -24.94 52.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.36 -0.382 . . . . 1.5600000000000001 111.774 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -66.36 -28.55 68.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.334 . . . . 1.0700000000000001 111.811 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.835 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 58.4 mtpt -63.02 -59.04 13.51 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 116.267 -0.424 . . . . 2.8500000000000001 111.192 -178.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.835 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 12.5 Cg_exo -69.5 -28.51 26.4 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.126 1.884 . . . . 0.87 112.222 178.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.25 83.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.223 0.535 . . . . 1.0700000000000001 110.457 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1904 ' ' ALA . . . . . 0.438 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -60.7 -47.24 87.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.375 -0.83 . . . . 1.0800000000000001 111.779 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.725 HG21 ' HA2' ' A' 1844 ' ' GLY . 12.3 p -75.34 -26.37 18.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 1.9199999999999999 111.419 -176.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -80.03 -16.67 54.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.121 0.486 . . . . 1.1699999999999999 110.804 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.83 145.97 51.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 1.23 111.222 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.51 -62.91 1.53 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.905 -0.589 . . . . 2.6699999999999999 111.09 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.788 ' HB2' HG12 ' A' 1912 ' ' ILE . 1.6 m-20 -81.28 139.68 35.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.216 -0.447 . . . . 2.4900000000000002 109.911 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.45 -36.9 85.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.479 -0.934 . . . . 2.2400000000000002 108.479 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1911 ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.8 mp0 -59.77 -38.39 81.7 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.266 -0.879 . . . . 2.4900000000000002 110.68 177.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.788 HG12 ' HB2' ' A' 1909 ' ' ASN . 40.5 mm -66.49 -42.92 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.459 -0.337 . . . . 1.3899999999999999 110.183 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1913 ' ' GLY . . . . . 0.438 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -63.72 -44.58 96.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.618 -0.801 . . . . 0.57999999999999996 111.612 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.16 79.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.25 0.548 . . . . 1.22 110.666 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.497 ' O ' ' HG2' ' A' 1919 ' ' ARG . 1.4 t-160 -65.01 -49.24 70.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.445 -0.798 . . . . 2.1800000000000002 110.383 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' 1912 ' ' ILE . 84.9 mt -58.36 -54.13 36.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 1.1299999999999999 111.16 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.6 ptpt -61.13 -37.26 82.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 1.8100000000000001 111.346 -176.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 19.7 m170 -75.56 -26.14 57.69 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.979 0.363 . . . . 2.52 111.979 -177.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' 1915 ' ' HIS . 18.9 mmt180 -75.24 -33.62 61.34 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.921 -0.312 . . . . 3.1499999999999999 110.881 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.549 ' HB ' HD13 ' A' 1838 ' ' LEU . 17.7 t -70.58 -22.58 23.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.911 -0.403 . . . . 1.1200000000000001 109.911 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.1 mm-40 -60.31 -39.73 88.04 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.34 0.59 . . . . 1.22 109.468 172.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' 1919 ' ' ARG . 14.5 mm-40 -58.62 -46.95 85.95 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.109 -0.95 . . . . 1.49 109.939 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' 1923 ' ' LEU . 18.5 mt -63.31 -38.11 89.9 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.509 -0.769 . . . . 1.3700000000000001 110.576 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1924 ' ' GLY . . . . . 0.459 ' CA ' ' HH ' ' A' 1893 ' ' TYR . . . -53.78 -53.42 36.41 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.778 -0.725 . . . . 0.64000000000000001 111.781 177.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -65.62 -43.8 88.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.737 0.303 . . . . 0.85999999999999999 110.746 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.0 -52.71 35.13 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.903 -0.665 . . . . 0.28000000000000003 112.864 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.409 ' O ' HG23 ' A' 1931 ' ' VAL . 78.8 m -61.51 -43.46 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.246 0.218 . . . . 1.6599999999999999 111.138 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1928 ' ' SER . . . . . 0.406 ' OG ' HG21 ' A' 1831 ' ' ILE . 29.2 m -55.98 -47.36 77.84 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.072 0.463 . . . . 1.5 110.419 177.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.05 82.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 1.01 111.282 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.603 HD12 HG23 ' A' 1957 ' ' VAL . 0.6 OUTLIER -67.88 -53.5 26.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.269 -0.423 . . . . 1.0700000000000001 110.099 -179.44 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' 1824 ' ' VAL . 27.3 m -64.27 -35.84 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 1.0800000000000001 111.146 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.6 m -57.65 -45.36 85.61 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.8 0.333 . . . . 1.4099999999999999 110.751 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.517 ' HE2' ' HB3' ' A' 1949 ' ' GLU . 13.9 mptt -65.71 -40.97 92.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.6799999999999999 111.18 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1934 ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' 1882 ' ' LEU . . . -62.73 -35.06 78.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.499 -0.319 . . . . 1.03 111.52 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -60.47 -43.37 98.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.488 -0.863 . . . . 0.42999999999999999 111.575 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -76.65 -29.51 56.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.809 0.338 . . . . 1.3100000000000001 111.096 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.551 ' O ' HD12 ' A' 1937 ' ' LEU . 1.5 tm? -71.74 -28.63 63.79 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.787 -0.449 . . . . 1.1200000000000001 109.787 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -77.46 -26.68 51.66 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.222 -0.591 . . . . 1.46 110.784 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.8 t -74.27 -27.68 60.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.316 -0.624 . . . . 2.3599999999999999 109.316 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 19.6 m -142.3 71.47 22.06 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.785 -0.643 . . . . 1.0 109.868 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.528 ' HA ' HD12 ' A' 1937 ' ' LEU . 38.2 Cg_endo -68.11 -8.82 23.87 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.663 2.242 . . . . 0.72999999999999998 111.624 -176.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 6.7 p -89.59 -15.72 32.18 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.649 -1.16 . . . . 1.95 111.259 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.4 117.94 20.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 1.1599999999999999 111.013 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 49.5 t -75.28 -34.87 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.78 -0.645 . . . . 1.96 110.648 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 53.9 t80 -61.74 -48.88 78.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.838 -0.619 . . . . 2.25 110.862 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 21.6 m -65.27 -37.66 87.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.195 -0.457 . . . . 1.1200000000000001 110.789 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.414 ' O ' HG13 ' A' 1951 ' ' ILE . 36.9 ttpt -65.6 -41.59 92.63 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.065 -0.346 . . . . 1.8500000000000001 110.065 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' 1952 ' ' GLU . 26.1 ttpp -55.23 -47.57 75.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 3.1899999999999999 109.964 174.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.517 ' HB3' ' HE2' ' A' 1933 ' ' LYS . 24.0 mm-40 -61.18 -40.91 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.362 -0.835 . . . . 1.53 111.433 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.98 -41.62 95.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.63 -0.259 . . . . 1.0900000000000001 110.72 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.516 ' O ' ' HG2' ' A' 1955 ' ' ARG . 83.7 mt -60.06 -42.34 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 1.1100000000000001 110.18 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' 1956 ' ' ARG . 19.2 mm-40 -65.48 -41.92 92.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 2.1099999999999999 110.404 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.527 ' O ' HG22 ' A' 1957 ' ' VAL . 85.3 m -56.21 -43.66 78.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 1.6799999999999999 110.395 175.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.36 91.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.935 -0.575 . . . . 1.0800000000000001 111.212 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' 1951 ' ' ILE . 22.5 mmm180 -58.63 -50.65 73.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.014 0.435 . . . . 3.7200000000000002 110.409 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.544 ' O ' ' HG2' ' A' 1960 ' ' LYS . 45.2 mtt180 -58.21 -39.45 79.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 3.6299999999999999 111.041 -177.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.604 ' HB ' HG22 ' A' 1868 ' ' VAL . 61.5 t -63.19 -54.5 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 1.0600000000000001 110.7 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 21.0 t -60.28 -34.94 74.47 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.954 0.407 . . . . 1.6599999999999999 110.502 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -60.45 -40.14 90.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.454 0.645 . . . . 1.8600000000000001 111.268 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' 1956 ' ' ARG . 28.0 mmtp -81.38 -27.21 34.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.073 -0.512 . . . . 1.4199999999999999 111.439 -176.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.809 HG22 HD13 ' A' 1864 ' ' ILE . 42.8 t -53.7 -48.23 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.923 0.392 . . . . 1.0800000000000001 110.379 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 2.8 m -58.26 -37.34 74.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.647 -0.706 . . . . 1.54 110.669 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 70.8 m80 -69.87 -42.13 73.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.005 -0.543 . . . . 1.8899999999999999 110.81 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' 1960 ' ' LYS . 61.8 t -63.56 -46.76 94.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.418 -0.356 . . . . 1.1200000000000001 110.453 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' 1861 ' ' ALA . 63.7 mt -57.53 -48.7 78.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 1.0800000000000001 111.012 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.31 -24.81 65.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.099 -0.501 . . . . 1.1200000000000001 111.801 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -66.88 -26.71 67.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.516 -0.311 . . . . 1.0900000000000001 111.05 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1968 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -78.11 -48.08 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.574 -0.285 . . . . 1.1000000000000001 111.198 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -69.65 -15.88 63.27 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.687 0.279 . . . . 1.7 111.157 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -75.85 -19.11 59.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.144 0.497 . . . . 1.46 110.481 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -88.18 48.57 3.64 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.847 -0.615 . . . . 2.0 112.814 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 14.0 m120 -81.05 159.79 24.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.017 -0.364 . . . . 5.0099999999999998 110.017 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 119.113 -0.47 . . . . 8.1600000000000001 110.803 -179.041 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.967 -0.453 . . . . 21.93 111.967 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.71 133.58 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.598 0.237 . . . . 20.550000000000001 110.634 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 68.77 99.42 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.283 0 CA-C-N 115.662 -0.699 . . . . 19.41 110.448 -174.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.38 133.48 30.43 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 123.018 2.479 . . . . 18.440000000000001 112.562 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 29.1 t80 64.08 52.51 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.601 -0.727 . . . . 20.98 111.006 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 26.8 m -94.29 -24.71 17.32 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.861 -0.792 . . . . 16.809999999999999 108.861 171.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 4.7 m-20 68.67 -69.96 0.14 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.612 -1.176 . . . . 16.420000000000002 113.133 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -160.89 164.37 31.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.774 0.321 . . . . 14.41 111.72 -170.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . 59.81 38.16 21.58 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.277 -0.874 . . . . 12.27 112.363 171.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -74.86 138.65 42.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.969 0.414 . . . . 10.710000000000001 110.325 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 57.4 m -93.77 107.3 19.2 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.868 -0.605 . . . . 8.9499999999999993 110.726 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -79.15 88.54 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.066 0.46 . . . . 7.1900000000000004 110.009 176.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -86.1 -46.21 10.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.938 -0.573 . . . . 5.0 110.858 -176.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 68.69 33.51 76.18 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.779 -0.724 . . . . 4.2199999999999998 111.656 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1823 ' ' VAL . . . . . 0.862 HG21 ' HA2' ' A' 1935 ' ' GLY . 6.0 p -140.57 171.77 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.633 -0.506 . . . . 2.7200000000000002 109.633 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.739 HG22 ' HB ' ' A' 1931 ' ' VAL . 21.8 t -43.9 103.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 123.79 0.836 . . . . 1.9199999999999999 112.431 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -149.47 -1.36 0.38 Allowed Glycine 0 C--N 1.319 -0.373 0 CA-C-N 115.354 -0.839 . . . . 2.1000000000000001 112.11 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -122.2 -47.27 0.28 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.824 -0.703 . . . . 1.3899999999999999 111.859 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.504 ' CE ' HG23 ' A' 1824 ' ' VAL . 25.0 ptt? -76.75 -11.93 59.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.638 0.256 . . . . 1.79 111.422 -177.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1828 ' ' VAL . . . . . 0.604 ' HB ' HG13 ' A' 1824 ' ' VAL . 7.4 p -64.05 -37.15 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.147 0.498 . . . . 1.28 109.729 175.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.11 -40.44 89.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.455 -0.793 . . . . 0.87 110.698 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 35.8 m -57.33 -32.98 67.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.392 -0.822 . . . . 1.3500000000000001 111.422 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.414 HG21 ' CE2' ' A' 1893 ' ' TYR . 57.5 mt -72.73 -44.15 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.011 0.434 . . . . 1.0900000000000001 110.386 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 6.3 m -64.29 -39.49 94.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.168 0.509 . . . . 1.1399999999999999 110.321 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -59.94 -41.81 92.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.923 -0.581 . . . . 3.02 110.58 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.528 ' HB3' ' HB1' ' A' 1897 ' ' ALA . . . -58.76 -34.8 71.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.796 -0.638 . . . . 1.0600000000000001 111.133 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1835 ' ' ILE . . . . . 0.409 ' HA ' HE22 ' A' 1921 ' ' GLN . 55.6 mt -62.94 -48.19 89.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.608 . . . . 1.1899999999999999 110.551 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -71.95 -41.07 68.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.981 -0.554 . . . . 0.80000000000000004 111.646 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1837 ' ' GLN . . . . . 0.422 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.8 pt20 -62.45 -30.68 71.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.772 0.286 . . . . 1.0 111.772 -174.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.465 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 61.8 mt -67.89 -31.72 71.71 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.812 0.339 . . . . 1.25 111.033 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 22.2 t70 -87.91 -40.37 14.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.478 -0.783 . . . . 1.79 110.379 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.13 -50.45 72.75 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.608 -0.724 . . . . 3.25 110.134 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1841 ' ' GLY . . . . . 0.531 ' O ' ' HE2' ' A' 1901 ' ' LYS . . . -119.34 92.44 0.53 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.233 -0.747 . . . . 2.2799999999999998 111.233 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.09 -41.77 26.6 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.288 1.992 . . . . 3.0899999999999999 112.041 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1843 ' ' MET . . . . . 0.474 ' HA ' HG23 ' A' 1905 ' ' VAL . 23.0 ptm -96.85 -159.31 0.72 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.561 -0.745 . . . . 5.5099999999999998 111.314 -175.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 176.42 -160.77 28.59 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 111.016 -0.833 . . . . 2.1499999999999999 111.016 -173.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -117.71 78.51 12.09 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.828 -0.434 . . . . 3.0800000000000001 109.828 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.641 ' HG3' ' HB ' ' A' 1905 ' ' VAL . 12.0 Cg_endo -57.82 112.57 1.19 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.624 2.216 . . . . 1.3 111.657 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -82.68 -5.44 58.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.338 -0.846 . . . . 2.8199999999999998 110.181 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -151.71 -173.46 21.49 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.622 -0.717 . . . . 1.21 111.429 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 33.7 t -80.16 168.0 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.794 0.297 . . . . 1.9399999999999999 110.317 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.08 -34.37 74.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.89000000000000001 110.366 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.8 p -60.47 -36.18 67.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 115.943 -0.571 . . . . 1.3400000000000001 111.243 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.33 -52.45 27.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 1.71 110.092 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -61.59 -39.42 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 1.4299999999999999 110.951 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.678 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 53.0 tt0 -54.88 -52.54 62.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 1.21 110.802 177.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.521 ' O ' ' HG3' ' A' 1859 ' ' ARG . 26.9 m -61.19 -43.26 99.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 2.1099999999999999 110.846 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 13.5 m -66.71 -39.53 88.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.773 0.32 . . . . 1.1899999999999999 110.998 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.8 mmm -64.94 -51.07 63.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.586 -0.279 . . . . 1.1000000000000001 111.392 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.705 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.2 m -61.3 -40.64 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.704 -0.399 . . . . 1.0700000000000001 111.479 -176.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' 1855 ' ' THR . 22.6 mtm180 -63.33 -43.24 98.32 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.824 0.345 . . . . 3.6299999999999999 110.615 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.627 ' HB ' HD22 ' A' 1896 ' ' LEU . 25.4 m -69.81 -33.49 72.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.836 -0.62 . . . . 1.1100000000000001 110.598 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.58 -42.21 95.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 1.0900000000000001 110.248 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.705 ' HG3' ' O ' ' A' 1858 ' ' VAL . 77.6 mttt -66.56 -32.52 73.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.042 0.449 . . . . 1.8799999999999999 109.857 175.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.99 -37.33 85.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.714 -0.675 . . . . 1.1499999999999999 111.288 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.685 HD12 HG21 ' A' 1961 ' ' VAL . 1.5 pp -79.57 -26.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.403 -0.519 . . . . 1.0800000000000001 109.749 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.795 ' HB2' HG12 ' A' 1961 ' ' VAL . . . -68.52 -35.55 77.62 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.892 -0.594 . . . . 0.98999999999999999 111.464 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.414 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 11.8 p -74.11 -26.57 21.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.18 0.514 . . . . 1.45 110.171 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 59.4 m -74.26 -46.51 40.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.814 -0.63 . . . . 1.0600000000000001 110.934 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.883 HG21 ' HB ' ' A' 1957 ' ' VAL . 4.3 p -65.85 -35.64 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 1.05 110.754 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.492 ' O ' HG13 ' A' 1872 ' ' VAL . 0.0 OUTLIER -70.27 -25.7 63.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.757 -0.46 . . . . 0.91000000000000003 109.757 177.102 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' 1869 ' ' GLN . 10.1 tp10 -77.49 -31.3 53.51 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.32 -0.4 . . . . 0.56999999999999995 110.14 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.637 ' SD ' HD21 ' A' 1882 ' ' LEU . 4.3 mmt -55.05 -45.86 75.29 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.924 -0.58 . . . . 1.25 111.645 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.51 HG23 HG21 ' A' 1951 ' ' ILE . 14.2 p -62.93 -38.79 82.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.275 0.559 . . . . 1.27 110.988 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 89.8 m -76.1 -43.78 41.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.584 -0.735 . . . . 1.1499999999999999 111.196 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.953 ' HE3' ' HA ' ' A' 1874 ' ' LYS . 0.0 OUTLIER -68.2 -45.67 72.73 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.342 -0.39 . . . . 1.97 111.977 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 22.4 p -56.92 -27.79 61.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.767 0.318 . . . . 1.74 111.853 -175.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -65.91 -52.55 49.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.112 -0.495 . . . . 0.76000000000000001 111.769 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 6.1 t -109.69 -26.91 9.63 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.967 0.728 . . . . 1.71 112.967 -172.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 15.0 m -135.29 79.06 50.31 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 122.208 -0.308 . . . . 1.4299999999999999 110.905 -173.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.32 -28.43 63.54 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.852 2.368 . . . . 1.02 113.348 -177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.61 -17.13 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.526 -0.47 . . . . 2.2400000000000002 110.864 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -77.59 -10.42 59.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.8899999999999999 111.3 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.637 HD21 ' SD ' ' A' 1871 ' ' MET . 86.6 mt -70.99 -25.36 62.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.134 -0.485 . . . . 1.1399999999999999 110.778 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1883 ' ' GLY . . . . . 0.404 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.51 -55.71 23.81 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.786 -0.721 . . . . 0.42999999999999999 113.063 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' 1883 ' ' GLY . 10.8 Cg_endo -58.39 -31.39 93.87 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.258 1.972 . . . . 1.0 112.351 175.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.631 HD11 ' HG3' ' A' 1874 ' ' LYS . 84.1 mt -73.92 -42.27 60.86 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 120.7 0.285 . . . . 1.0700000000000001 110.621 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1886 ' ' ALA . . . . . 0.43 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.23 -35.56 73.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.222 0.535 . . . . 1.1000000000000001 109.595 175.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -66.83 -50.25 63.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.351 -0.84 . . . . 1.4299999999999999 111.121 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.84 -47.42 78.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.722 -0.672 . . . . 1.0700000000000001 111.408 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.501 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.4 tp -54.62 -43.69 72.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.105 0.478 . . . . 1.05 110.113 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1890 ' ' THR . . . . . 0.432 HG23 ' HB2' ' A' 1827 ' ' MET . 66.0 m -66.74 -47.04 73.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.478 -0.783 . . . . 1.0800000000000001 111.502 178.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 3.5 t -68.1 -42.09 80.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.254 -0.43 . . . . 1.72 111.122 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -73.34 -34.52 65.7 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.952 -0.299 . . . . 0.80000000000000004 111.157 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1893 ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 50.7 t80 -59.56 -40.44 87.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.866 0.365 . . . . 1.05 110.276 175.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.86 -30.81 53.91 Favored Glycine 0 CA--C 1.521 0.409 0 CA-C-N 115.837 -0.62 . . . . 0.34000000000000002 112.771 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -68.84 -49.52 57.7 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.928 -0.397 . . . . 3.48 109.928 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.627 HD22 ' HB ' ' A' 1860 ' ' THR . 69.2 mt -57.29 -43.73 83.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 1.45 110.318 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1897 ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' 1834 ' ' ALA . . . -63.43 -25.71 68.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.497 -0.774 . . . . 1.1499999999999999 111.687 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 25.4 m -86.67 -47.11 9.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.814 0.34 . . . . 1.8899999999999999 110.512 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.93 -27.39 66.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 1.5600000000000001 111.895 -176.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -61.26 -25.3 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.023 0.379 . . . . 1.0700000000000001 112.023 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.779 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 10.0 mtpm? -72.39 -59.68 2.47 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-O 119.496 -0.288 . . . . 2.8500000000000001 111.223 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.779 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 34.9 Cg_exo -62.81 -32.48 77.67 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.972 1.781 . . . . 0.87 112.411 176.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.64 91.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.976 0.417 . . . . 1.0700000000000001 110.686 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -62.48 -32.85 73.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 1.0800000000000001 111.045 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.641 ' HB ' ' HG3' ' A' 1846 ' ' PRO . 2.0 t -76.62 -39.89 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.028 -0.533 . . . . 1.9199999999999999 110.818 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.03 66.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.685 -0.689 . . . . 1.1699999999999999 110.857 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.02 143.64 54.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.939 -0.573 . . . . 1.23 110.293 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.37 -30.21 37.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.864 0.364 . . . . 2.6699999999999999 111.359 -175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.447 ' HB3' HG12 ' A' 1912 ' ' ILE . 58.8 t30 -106.43 147.01 29.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.919 0.39 . . . . 2.4900000000000002 111.03 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.76 -53.74 51.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.512 -0.767 . . . . 2.2400000000000002 111.465 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1911 ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.7 mp0 -58.11 -29.2 65.3 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.978 -0.555 . . . . 2.4900000000000002 111.392 -176.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' 1916 ' ' ILE . 48.9 mm -67.97 -46.0 82.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.58 0.228 . . . . 1.3899999999999999 110.537 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.25 -40.74 96.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.68 -0.771 . . . . 0.57999999999999996 111.709 178.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.98 89.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.169 0.509 . . . . 1.22 110.443 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.556 ' HB2' ' O ' ' A' 1911 ' ' GLU . 5.3 t-80 -61.47 -45.46 94.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.438 -0.801 . . . . 2.1800000000000002 110.93 -177.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.536 ' O ' HG21 ' A' 1920 ' ' VAL . 72.8 mt -59.53 -54.72 30.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 1.1299999999999999 110.943 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.608 ' O ' ' HG2' ' A' 1921 ' ' GLN . 1.3 ptpm? -65.34 -32.34 73.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 1.8100000000000001 111.259 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 7.9 m170 -69.58 -32.67 71.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.656 -0.247 . . . . 2.52 111.557 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.839 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 20.5 mmt180 -78.11 -25.23 47.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.821 0.343 . . . . 3.1499999999999999 110.663 178.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' 1916 ' ' ILE . 48.6 t -72.31 -26.75 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.207 0.527 . . . . 1.1200000000000001 109.795 174.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.608 ' HG2' ' O ' ' A' 1917 ' ' LYS . 20.5 mm-40 -61.33 -30.17 70.34 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.851 -0.613 . . . . 1.22 110.024 174.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.561 ' HG3' ' HA ' ' A' 1919 ' ' ARG . 2.2 mt-10 -63.81 -47.76 79.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.546 -0.752 . . . . 1.49 110.489 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.68 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 15.0 mt -70.12 -27.16 64.35 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.281 -0.637 . . . . 1.3700000000000001 109.281 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -56.18 -32.64 60.25 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.76 -0.733 . . . . 0.64000000000000001 111.859 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -93.91 -48.48 6.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.691 0.281 . . . . 0.85999999999999999 110.368 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -62.03 -52.86 47.13 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.155 -0.545 . . . . 0.28000000000000003 113.096 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.68 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 91.3 m -64.68 -38.09 89.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.7 0.286 . . . . 1.6599999999999999 110.551 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 11.8 t -63.04 -46.37 87.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.972 0.415 . . . . 1.5 110.244 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.48 97.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 1.01 110.803 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.452 HD12 HG23 ' A' 1957 ' ' VAL . 0.4 OUTLIER -61.96 -53.16 59.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 1.0700000000000001 110.711 -178.302 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.739 ' HB ' HG22 ' A' 1824 ' ' VAL . 30.2 m -66.17 -31.78 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.396 -0.365 . . . . 1.0800000000000001 110.968 -177.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 82.2 m -69.27 -42.72 75.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 1.4099999999999999 110.675 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.739 ' HE3' HG21 ' A' 1946 ' ' THR . 40.6 tptt -66.64 -38.02 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 1.6799999999999999 110.346 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -55.47 -41.56 73.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 1.03 111.116 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1935 ' ' GLY . . . . . 0.862 ' HA2' HG21 ' A' 1823 ' ' VAL . . . -54.98 -40.97 75.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.219 -0.515 . . . . 0.42999999999999999 112.664 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -77.58 -34.83 53.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.775 0.322 . . . . 1.3100000000000001 110.779 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.82 -36.31 75.51 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.154 -0.476 . . . . 1.1200000000000001 110.054 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -69.56 -26.1 64.32 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.807 -0.357 . . . . 1.46 110.981 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 36.1 t -77.2 -19.19 57.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 2.3599999999999999 110.313 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 43.0 m -149.25 70.15 9.85 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 1.0 110.075 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.83 -16.01 53.2 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.974 2.449 . . . . 0.72999999999999998 112.912 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.4 m -96.15 10.37 37.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.856 -0.611 . . . . 1.95 111.345 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -94.14 121.9 36.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.91 0.386 . . . . 1.1599999999999999 110.385 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 18.3 m -69.58 -40.59 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.074 -0.512 . . . . 1.96 112.198 -175.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -67.88 -49.52 61.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.83 -0.168 . . . . 2.25 111.365 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.739 HG21 ' HE3' ' A' 1933 ' ' LYS . 27.2 m -59.68 -36.72 77.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.945 0.402 . . . . 1.1200000000000001 110.691 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -70.95 -44.67 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 1.8500000000000001 110.584 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.474 ' O ' ' HG2' ' A' 1952 ' ' GLU . 59.6 tttp -62.56 -42.4 99.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.52 -0.309 . . . . 3.1899999999999999 110.827 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.486 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 47.0 mt-10 -58.56 -36.16 73.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 1.53 110.999 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.8 tt -69.79 -36.37 75.64 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.959 -0.385 . . . . 1.0900000000000001 109.959 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.51 HG21 HG23 ' A' 1872 ' ' VAL . 86.6 mt -61.19 -43.01 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 1.1100000000000001 109.816 173.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.657 ' O ' ' HG3' ' A' 1956 ' ' ARG . 65.4 mm-40 -63.0 -39.5 94.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.846 -0.616 . . . . 2.1099999999999999 109.92 175.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.527 ' O ' HG22 ' A' 1957 ' ' VAL . 74.7 m -60.72 -43.94 97.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.437 -0.347 . . . . 1.6799999999999999 110.611 176.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.19 -52.11 65.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 1.0800000000000001 111.597 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.55 ' O ' ' HG3' ' A' 1959 ' ' GLU . 14.2 ptm180 -58.14 -34.27 70.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.672 -0.24 . . . . 3.7200000000000002 111.514 -176.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' 1952 ' ' GLU . 18.8 mtm180 -68.41 -41.73 80.0 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.732 0.301 . . . . 3.6299999999999999 110.784 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.883 ' HB ' HG21 ' A' 1868 ' ' VAL . 59.4 t -63.42 -45.32 98.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 1.0600000000000001 110.333 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 35.5 m -57.68 -34.87 69.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.614 . . . . 1.6599999999999999 111.224 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' A' 1955 ' ' ARG . 45.0 mt-10 -64.39 -39.09 93.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.333 0.587 . . . . 1.8600000000000001 110.316 176.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.1 mmtt -73.43 -31.99 64.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.593 -0.731 . . . . 1.4199999999999999 111.027 -175.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.795 HG12 ' HB2' ' A' 1865 ' ' ALA . 46.5 t -57.23 -44.88 84.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.774 0.321 . . . . 1.0800000000000001 110.737 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 8.8 t -59.91 -37.81 80.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 1.54 110.226 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.839 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 63.7 m80 -67.77 -40.52 84.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.942 -0.572 . . . . 1.8899999999999999 111.024 178.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 1960 ' ' LYS . 59.9 t -63.89 -47.72 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 1.1200000000000001 110.074 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.04 -50.21 73.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.738 -0.665 . . . . 1.0800000000000001 110.912 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.63 -24.32 67.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.947 -0.569 . . . . 1.1200000000000001 111.774 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -63.72 -30.15 71.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.36 -0.382 . . . . 1.0900000000000001 111.072 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.678 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -74.53 -46.89 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 1.1000000000000001 111.44 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1969 ' ' GLN . . . . . 0.572 ' HA ' ' O ' ' A' 1972 ' ' ASN . 17.9 mp0 -69.36 -15.49 63.33 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.893 0.378 . . . . 1.7 111.165 -178.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -74.67 -20.55 59.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 1.46 110.302 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -99.04 -44.19 2.45 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.042 -0.599 . . . . 2.0 112.163 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1972 ' ' ASN . . . . . 0.572 ' O ' ' HA ' ' A' 1969 ' ' GLN . 2.9 t-20 -147.93 156.6 42.86 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.367 -0.605 . . . . 5.0099999999999998 109.367 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 61.7 mtm-85 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.685 -0.674 . . . . 8.1600000000000001 110.547 -177.428 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.717 -0.553 . . . . 21.93 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 8.6 pt -129.5 96.41 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.196 0.522 . . . . 20.550000000000001 111.635 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.77 133.69 95.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.099 -0.704 . . . . 19.41 109.099 170.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -51.82 100.12 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.732 2.288 . . . . 18.440000000000001 113.049 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -104.31 -50.88 3.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.343 0.592 . . . . 20.98 110.016 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 9.2 p -92.36 112.32 24.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.498 -0.774 . . . . 16.809999999999999 111.851 -174.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -130.56 18.68 5.24 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.153 -1.055 . . . . 16.420000000000002 108.153 173.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -79.93 136.24 36.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.586 -1.188 . . . . 14.41 110.541 -170.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . 62.1 26.34 15.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.601 . . . . 12.27 111.805 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -76.56 -40.55 49.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.141 0.496 . . . . 10.710000000000001 109.754 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 24.7 m -136.11 89.12 2.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.696 -0.684 . . . . 8.9499999999999993 110.36 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1820 ' ' ALA . . . . . 0.422 ' C ' ' H ' ' A' 1822 ' ' GLY . . . -119.4 6.65 11.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.093 -0.503 . . . . 7.1900000000000004 110.567 177.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . 72.29 -37.19 0.38 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.909 0.884 . . . . 5.0 112.293 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1822 ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' 1820 ' ' ALA . . . 103.93 -8.02 49.58 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.367 -0.693 . . . . 4.2199999999999998 111.367 -178.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 17.3 m -63.14 -28.24 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.551 -0.324 . . . . 2.7200000000000002 111.455 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.529 ' HA ' ' SD ' ' A' 1827 ' ' MET . 17.8 m -116.1 17.04 7.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.063 0.459 . . . . 1.9199999999999999 111.212 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -68.88 129.59 24.35 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.741 -0.944 . . . . 2.1000000000000001 110.741 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 91.04 -47.11 2.91 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.758 -0.937 . . . . 1.3899999999999999 110.758 -172.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.548 ' HE3' ' HA ' ' A' 1887 ' ' ASN . 66.0 mtp -57.73 -49.08 77.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.265 0.555 . . . . 1.79 110.284 175.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.3 p -63.59 -27.32 42.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 1.28 110.67 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.28 -40.21 62.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.87 110.267 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 32.2 m -58.19 -40.62 82.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 1.3500000000000001 110.288 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.509 HG22 ' CE2' ' A' 1893 ' ' TYR . 66.2 mt -64.9 -47.42 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.678 . . . . 1.0900000000000001 110.649 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 27.4 m -62.79 -39.07 93.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 1.1399999999999999 110.928 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -61.87 -44.64 96.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 3.02 110.354 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' A' 1838 ' ' LEU . . . -55.71 -41.33 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.954 -0.566 . . . . 1.0600000000000001 111.317 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.65 -48.37 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 1.1899999999999999 111.083 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -77.19 -33.88 56.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.963 -0.562 . . . . 0.80000000000000004 111.792 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1837 ' ' GLN . . . . . 0.531 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 14.9 pt20 -68.44 -28.88 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.224 -0.191 . . . . 1.0 111.058 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' 1834 ' ' ALA . 78.8 mt -62.57 -34.57 77.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.021 0.439 . . . . 1.25 111.04 -177.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 26.3 t70 -72.3 -26.91 62.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.728 -0.669 . . . . 1.79 110.066 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -103.61 39.15 1.65 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.564 -0.744 . . . . 3.25 110.074 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1841 ' ' GLY . . . . . 0.529 ' HA2' ' HD2' ' A' 1901 ' ' LYS . . . -65.52 177.19 13.08 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.984 -0.627 . . . . 2.2799999999999998 112.265 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1842 ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 61.3 Cg_exo -51.01 136.92 44.73 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.833 2.355 . . . . 3.0899999999999999 111.934 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 88.0 mtp -67.34 -47.6 70.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.096 -0.502 . . . . 5.5099999999999998 110.034 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -169.42 35.28 0.18 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.79 -0.719 . . . . 2.1499999999999999 112.454 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -129.32 87.19 54.32 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.64 -0.424 . . . . 3.0800000000000001 111.881 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.607 ' HG3' HG11 ' A' 1905 ' ' VAL . 1.5 Cg_endo -84.8 161.69 12.14 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.845 2.364 . . . . 1.3 110.623 165.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.95 ' H ' ' HH ' ' A' 1853 ' ' TYR . 21.6 tp10 -90.42 -27.56 19.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.4 0.619 . . . . 2.8199999999999998 109.64 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -133.07 -159.95 9.32 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.083 -0.807 . . . . 1.21 111.083 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 8.4 t -100.9 179.7 4.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.477 -0.564 . . . . 1.9399999999999999 109.477 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' 1906 ' ' ALA . 60.2 t80 -60.77 -38.16 84.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.76 -0.2 . . . . 0.89000000000000001 111.178 -176.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.3 p -59.07 -38.15 72.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.829 0.347 . . . . 1.3400000000000001 111.364 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.83 -46.41 78.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 1.71 110.673 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.95 ' HH ' ' H ' ' A' 1847 ' ' GLU . 78.8 m-85 -76.06 -37.57 58.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.826 -0.625 . . . . 1.4299999999999999 111.29 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.645 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 29.4 tt0 -56.56 -54.53 44.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.661 0.267 . . . . 1.21 111.039 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.506 ' O ' ' HG3' ' A' 1859 ' ' ARG . 17.1 p -59.35 -41.0 88.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 2.1099999999999999 111.051 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 21.1 m -70.47 -40.35 73.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.318 -0.401 . . . . 1.1899999999999999 111.007 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.474 ' SD ' ' HA ' ' A' 1900 ' ' ALA . 47.8 mtp -63.87 -50.79 67.42 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 111.723 0.268 . . . . 1.1000000000000001 111.723 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.732 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.3 m -59.89 -33.16 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.712 -0.395 . . . . 1.0700000000000001 110.806 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' 1855 ' ' THR . 62.3 mtp180 -67.79 -45.06 75.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 3.6299999999999999 110.727 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.654 ' HB ' HD23 ' A' 1896 ' ' LEU . 6.4 m -70.29 -33.75 71.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 1.1100000000000001 110.587 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.508 ' HB3' HD22 ' A' 1965 ' ' LEU . . . -62.22 -46.08 90.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 1.0900000000000001 110.627 176.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.732 ' HG3' ' O ' ' A' 1858 ' ' VAL . 83.0 mttt -61.94 -31.33 71.64 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.953 0.406 . . . . 1.8799999999999999 110.478 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.33 93.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 1.1499999999999999 111.149 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.631 HD13 HG21 ' A' 1961 ' ' VAL . 1.2 pp -76.78 -26.83 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.627 -0.429 . . . . 1.0800000000000001 110.117 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.746 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -69.05 -42.62 76.04 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.183 -0.462 . . . . 0.98999999999999999 111.093 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.45 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.6 p -71.69 -23.97 22.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.213 0.53 . . . . 1.45 110.004 177.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 97.1 m -67.39 -52.34 41.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.883 -0.599 . . . . 1.0600000000000001 110.563 173.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.743 HG23 ' HB ' ' A' 1957 ' ' VAL . 4.4 p -65.99 -34.95 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.432 -0.349 . . . . 1.05 111.416 -177.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.45 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.77 -29.1 68.97 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.758 -0.46 . . . . 0.91000000000000003 109.758 177.191 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -77.8 -35.83 50.98 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.226 -0.443 . . . . 0.56999999999999995 109.938 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.482 ' SD ' ' HB2' ' A' 1885 ' ' LEU . 35.5 mmm -58.56 -46.81 86.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.366 -0.379 . . . . 1.25 111.385 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.41 ' CG2' HG23 ' A' 1951 ' ' ILE . 7.3 p -62.69 -32.29 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.532 0.682 . . . . 1.27 110.752 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 93.8 m -80.38 -44.59 19.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.201 -0.909 . . . . 1.1499999999999999 110.733 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.639 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 7.1 mmpt? -67.13 -37.93 84.68 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.975 -0.557 . . . . 1.97 111.211 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 24.7 t -54.53 -24.41 20.68 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.808 0.299 . . . . 1.74 111.808 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -75.54 -52.2 11.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.891 0.33 . . . . 0.76000000000000001 111.891 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 3.8 t -108.12 -16.76 14.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.48 0.548 . . . . 1.71 112.48 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 4.1 m -146.44 75.38 12.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.78 -0.452 . . . . 1.4299999999999999 109.78 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -72.01 -13.6 28.93 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.488 2.125 . . . . 1.02 112.816 -174.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1880 ' ' GLU . . . . . 0.485 ' HA ' ' HG2' ' A' 1938 ' ' GLN . 0.1 OUTLIER -92.74 -20.23 20.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.949 0.404 . . . . 2.2400000000000002 110.271 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -71.14 -9.44 58.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 1.8899999999999999 110.834 173.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1882 ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.42 -25.45 68.02 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.76 -0.655 . . . . 1.1399999999999999 110.365 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1883 ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.02 -55.51 26.14 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.985 -0.626 . . . . 0.42999999999999999 113.37 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' 1883 ' ' GLY . 12.9 Cg_endo -59.83 -37.04 88.9 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.239 1.959 . . . . 1.0 112.47 175.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.612 HD13 ' HG3' ' A' 1874 ' ' LYS . 72.5 mt -71.98 -44.27 63.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.564 -0.289 . . . . 1.0700000000000001 110.753 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.54 68.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.113 0.483 . . . . 1.1000000000000001 109.869 174.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1887 ' ' ASN . . . . . 0.548 ' HA ' ' HE3' ' A' 1827 ' ' MET . 10.0 t-20 -71.57 -37.27 71.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.564 . . . . 1.4299999999999999 110.784 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -69.77 -44.3 70.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.353 -0.385 . . . . 1.0700000000000001 110.158 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.494 HD11 ' HB ' ' A' 1864 ' ' ILE . 45.2 tp -58.56 -33.52 70.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 1.05 110.134 176.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1890 ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' 1827 ' ' MET . 54.3 m -74.85 -51.45 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.646 -0.706 . . . . 1.0800000000000001 111.433 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1891 ' ' SER . . . . . 0.408 ' O ' ' HG3' ' A' 1895 ' ' ARG . 16.1 p -66.58 -49.99 64.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.497 . . . . 1.72 110.911 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.477 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 6.1 m-20 -64.1 -28.84 70.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.543 -0.753 . . . . 0.80000000000000004 111.532 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1893 ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 63.8 t80 -66.06 -45.01 82.86 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.51 -0.476 . . . . 1.05 109.916 174.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.57 -39.89 91.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.34000000000000002 111.727 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.477 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 94.0 mtt180 -63.98 -50.69 67.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.206 0.527 . . . . 3.48 110.302 175.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.654 HD23 ' HB ' ' A' 1860 ' ' THR . 1.3 tm? -62.55 -40.1 95.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.542 -0.753 . . . . 1.45 110.997 -177.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -69.49 -37.16 77.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.778 0.323 . . . . 1.1499999999999999 111.098 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 9.5 t -64.38 -35.94 82.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.047 0.451 . . . . 1.8899999999999999 110.03 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -77.18 -24.81 51.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.734 -0.667 . . . . 1.5600000000000001 111.051 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1900 ' ' ALA . . . . . 0.474 ' HA ' ' SD ' ' A' 1857 ' ' MET . . . -68.98 -36.5 77.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.536 . . . . 1.0700000000000001 112.09 -175.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.814 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 42.0 mtmt -59.65 -58.17 21.41 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 121.132 -0.227 . . . . 2.8500000000000001 111.526 -178.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.814 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 21.7 Cg_exo -65.42 -29.14 53.92 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.128 1.886 . . . . 0.87 112.375 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1903 ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' 1853 ' ' TYR . . . -62.19 -46.02 90.81 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.149 0.5 . . . . 1.0700000000000001 110.358 176.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1904 ' ' ALA . . . . . 0.439 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -60.75 -48.67 80.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.239 -0.891 . . . . 1.0800000000000001 111.493 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.607 HG11 ' HG3' ' A' 1846 ' ' PRO . 12.2 p -70.4 -24.36 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.743 0.306 . . . . 1.9199999999999999 111.33 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1906 ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -92.73 3.61 55.29 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.342 -0.224 . . . . 1.1699999999999999 111.504 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.38 159.11 34.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.018 0.437 . . . . 1.23 111.347 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.01 -42.87 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 2.6699999999999999 110.632 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.766 ' HB2' HG12 ' A' 1912 ' ' ILE . 61.8 m-20 -117.07 141.15 48.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.048 -0.524 . . . . 2.4900000000000002 110.08 -178.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -57.74 -35.56 70.87 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.49 0.494 . . . . 2.2400000000000002 110.744 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -65.11 -37.32 87.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 2.4900000000000002 110.87 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.766 HG12 ' HB2' ' A' 1909 ' ' ASN . 51.6 mm -65.71 -44.66 93.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.648 -0.501 . . . . 1.3899999999999999 109.648 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1913 ' ' GLY . . . . . 0.439 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.26 -47.2 92.25 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.822 -0.704 . . . . 0.57999999999999996 111.72 176.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.94 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.274 0.559 . . . . 1.22 110.342 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.42 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.8 t-80 -63.66 -40.49 96.98 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.314 -0.857 . . . . 2.1800000000000002 110.627 -177.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.512 ' O ' HG21 ' A' 1920 ' ' VAL . 82.3 mt -59.51 -53.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.719 0.295 . . . . 1.1299999999999999 110.385 176.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' A' 1921 ' ' GLN . 92.9 mttt -54.86 -48.33 73.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.861 -0.609 . . . . 1.8100000000000001 111.008 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -71.06 -28.48 64.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.842 -0.617 . . . . 2.52 112.185 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.694 ' HB3' HG22 ' A' 1964 ' ' VAL . 16.8 mmm180 -70.88 -36.82 72.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.723 0.297 . . . . 3.1499999999999999 110.762 177.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' 1916 ' ' ILE . 37.8 t -72.9 -22.69 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.951 0.405 . . . . 1.1200000000000001 110.452 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.3 mm-40 -60.56 -32.25 71.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.147 0.499 . . . . 1.22 109.899 174.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.14 -49.75 73.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.326 -0.852 . . . . 1.49 111.174 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.666 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 11.0 mt -65.15 -28.75 69.63 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.123 -0.695 . . . . 1.3700000000000001 109.123 175.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -56.6 -34.01 63.55 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.971 -0.633 . . . . 0.64000000000000001 112.316 177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -95.96 -43.3 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.618 0.247 . . . . 0.85999999999999999 110.596 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.82 -53.45 27.29 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.144 -0.551 . . . . 0.28000000000000003 112.835 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 96.9 m -63.97 -36.43 83.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.695 0.283 . . . . 1.6599999999999999 110.421 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1928 ' ' SER . . . . . 0.411 ' HB2' HG23 ' A' 1831 ' ' ILE . 9.5 t -62.72 -47.53 83.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 1.5 109.951 176.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.82 92.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 1.01 110.761 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.64 HD13 HG22 ' A' 1868 ' ' VAL . 0.5 OUTLIER -63.33 -51.93 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 1.0700000000000001 111.339 -178.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 16.6 m -67.25 -34.2 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.955 0.407 . . . . 1.0800000000000001 110.774 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 94.6 m -68.21 -41.66 80.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 1.4099999999999999 110.389 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.468 ' HE3' HG22 ' A' 1946 ' ' THR . 36.2 tptt -67.15 -39.29 86.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.831 -0.622 . . . . 1.6799999999999999 110.236 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.82 77.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.049 -0.523 . . . . 1.03 111.173 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.09 84.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.42999999999999999 112.459 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.49 -29.37 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 1.3100000000000001 110.869 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -77.54 -36.37 52.38 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.552 -0.536 . . . . 1.1200000000000001 109.552 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.485 ' HG2' ' HA ' ' A' 1880 ' ' GLU . 17.6 mt-30 -65.61 -25.52 67.42 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.924 0.392 . . . . 1.46 110.945 175.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 54.0 t -66.74 -27.97 68.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 2.3599999999999999 110.278 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 55.8 m -154.25 76.74 5.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.532 -0.544 . . . . 1.0 109.532 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.84 -14.35 31.8 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.207 2.605 . . . . 0.72999999999999998 112.582 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 28.4 m -85.41 -12.21 52.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.655 -0.702 . . . . 1.95 111.35 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.37 120.06 17.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 1.1599999999999999 110.411 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 39.0 t -72.64 -44.94 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.113 -0.494 . . . . 1.96 111.531 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.432 ' O ' ' HG3' ' A' 1949 ' ' GLU . 41.6 t80 -66.25 -46.67 76.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 2.25 111.117 -174.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.468 HG22 ' HE3' ' A' 1933 ' ' LYS . 25.6 m -61.47 -38.27 86.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.068 0.461 . . . . 1.1200000000000001 110.602 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.43 ' O ' HG13 ' A' 1951 ' ' ILE . 38.1 ttpt -67.16 -44.78 78.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.796 -0.638 . . . . 1.8500000000000001 110.114 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -55.31 -44.51 75.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 3.1899999999999999 110.838 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.454 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 48.8 mt-10 -64.47 -39.48 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 1.53 111.369 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.62 -38.23 86.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.102 -0.333 . . . . 1.0900000000000001 110.102 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' 1947 ' ' LYS . 89.6 mt -58.4 -40.75 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 1.1100000000000001 110.165 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' 1956 ' ' ARG . 5.5 mm-40 -65.7 -45.52 82.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.903 -0.589 . . . . 2.1099999999999999 110.46 175.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.708 ' HA ' ' HD3' ' A' 1956 ' ' ARG . 85.5 m -57.61 -40.96 80.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 1.6799999999999999 110.661 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1954 ' ' ALA . . . . . 0.405 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -61.58 -44.59 96.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.226 -0.443 . . . . 1.0800000000000001 110.928 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -61.51 -40.57 95.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 3.7200000000000002 110.515 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.708 ' HD3' ' HA ' ' A' 1953 ' ' CYS . 74.3 mtp180 -62.16 -50.37 72.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.736 -0.666 . . . . 3.6299999999999999 111.148 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.743 ' HB ' HG23 ' A' 1868 ' ' VAL . 74.7 t -63.76 -44.28 98.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 1.0600000000000001 111.681 -177.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.3 m -57.32 -35.88 70.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.922 0.391 . . . . 1.6599999999999999 111.077 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -72.37 -32.55 66.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.195 -0.457 . . . . 1.8600000000000001 111.37 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.632 ' O ' HG23 ' A' 1964 ' ' VAL . 73.8 mmtt -65.47 -43.99 88.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.153 -0.476 . . . . 1.4199999999999999 110.625 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.746 HG11 ' HB2' ' A' 1865 ' ' ALA . 22.0 t -54.92 -44.86 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 O-C-N 123.661 0.601 . . . . 1.0800000000000001 111.245 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 5.4 m -56.38 -41.69 76.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.007 0.432 . . . . 1.54 110.915 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.465 ' HB2' ' NH2' ' A' 1919 ' ' ARG . 13.9 m-70 -77.82 -23.18 49.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 1.8899999999999999 111.088 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.694 HG22 ' HB3' ' A' 1919 ' ' ARG . 58.3 t -73.69 -43.32 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.877 -0.416 . . . . 1.1200000000000001 109.877 175.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' 1861 ' ' ALA . 69.3 mt -61.09 -37.66 83.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 1.0800000000000001 110.59 177.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -59.67 -24.49 63.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.798 -0.637 . . . . 1.1200000000000001 111.607 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.97 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 1.0900000000000001 110.796 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.645 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.2 mm? -72.35 -51.21 21.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 1.1000000000000001 110.582 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -62.62 -19.17 63.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 1.7 111.585 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -71.09 -23.49 62.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.028 -0.533 . . . . 1.46 111.028 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -87.97 -104.75 0.93 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.432 -0.667 . . . . 2.0 111.432 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1972 ' ' ASN . . . . . 0.425 ' H ' ' HE2' ' A' 1850 ' ' PHE . 9.4 m120 -70.89 133.24 46.28 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.561 -0.533 . . . . 5.0099999999999998 109.561 175.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.182 -0.913 . . . . 8.1600000000000001 110.614 -172.344 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 112.023 -0.431 . . . . 21.93 112.023 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 8.5 tp -155.0 -36.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.033 0.444 . . . . 20.550000000000001 110.322 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1811 ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' 1813 ' ' PHE . 4.8 m-20 -90.88 151.58 43.62 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.087 -0.708 . . . . 19.41 109.087 172.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1812 ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' 1811 ' ' ASP . 7.5 Cg_exo -73.82 24.56 0.33 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.061 2.507 . . . . 18.440000000000001 112.913 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1813 ' ' PHE . . . . . 0.417 ' H ' ' C ' ' A' 1811 ' ' ASP . 92.8 m-85 -147.07 -179.68 6.99 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.115 -1.068 . . . . 20.98 108.115 -177.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 29.6 m -61.28 130.71 47.51 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 110.167 -0.308 . . . . 16.809999999999999 110.167 175.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 49.0 t30 -70.91 95.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.08 0.467 . . . . 16.420000000000002 111.1 -176.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -129.36 -9.3 4.68 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.692 -0.685 . . . . 14.41 109.68 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -75.96 -27.47 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.765 -0.652 . . . . 12.27 110.561 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -90.45 -179.59 5.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.913 -0.585 . . . . 10.710000000000001 110.129 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 18.3 t 62.55 23.67 14.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.546 0.689 . . . . 8.9499999999999993 110.006 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -67.63 -29.25 68.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.584 -0.734 . . . . 7.1900000000000004 110.451 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1821 ' ' ALA . . . . . 0.524 ' HB1' ' HA3' ' A' 1825 ' ' GLY . . . -150.8 104.73 3.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.733 -0.667 . . . . 5.0 110.613 177.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -65.11 -21.17 67.78 Favored Glycine 0 N--CA 1.453 -0.186 0 N-CA-C 111.67 -0.572 . . . . 4.2199999999999998 111.67 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1823 ' ' VAL . . . . . 0.405 HG13 ' SG ' ' A' 1939 ' ' CYS . 31.2 m -88.37 34.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.142 0.496 . . . . 2.7200000000000002 110.482 174.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.54 HG11 ' HB ' ' A' 1931 ' ' VAL . 96.6 t 72.2 100.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.902 0.858 . . . . 1.9199999999999999 111.762 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1825 ' ' GLY . . . . . 0.524 ' HA3' ' HB1' ' A' 1821 ' ' ALA . . . -158.85 152.6 23.7 Favored Glycine 0 N--CA 1.442 -0.967 0 CA-C-N 114.862 -1.063 . . . . 2.1000000000000001 110.783 174.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 81.53 -56.5 4.9 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.049 -0.596 . . . . 1.3899999999999999 111.827 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.466 ' HE2' ' HA ' ' A' 1887 ' ' ASN . 24.7 ptt? -70.4 -17.26 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 1.79 111.039 -178.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 13.0 p -64.81 -27.76 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.3 0.571 . . . . 1.28 109.794 177.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.99 -36.27 80.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.49 -0.777 . . . . 0.87 110.773 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 8.7 t -60.56 -39.97 89.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 1.3500000000000001 110.274 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 57.1 mt -63.94 -49.18 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 1.0900000000000001 110.212 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 8.9 m -60.11 -45.72 92.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 1.1399999999999999 110.94 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.75 -36.77 85.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.336 -0.393 . . . . 3.02 110.808 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.436 ' HB3' ' CB ' ' A' 1897 ' ' ALA . . . -63.01 -28.23 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 1.0600000000000001 111.577 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.24 -47.92 79.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.114 0.483 . . . . 1.1899999999999999 110.42 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -66.09 -37.41 85.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.584 -0.734 . . . . 0.80000000000000004 112.545 -172.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -62.4 -28.84 70.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.919 0.39 . . . . 1.0 111.467 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.613 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 91.0 mt -79.85 -34.07 39.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 1.25 111.204 -177.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.77 -36.06 28.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.416 . . . . 1.79 110.563 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.98 -56.49 21.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.803 -0.635 . . . . 3.25 111.26 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -157.86 142.85 8.86 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.413 -0.898 . . . . 2.2799999999999998 112.432 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1842 ' ' PRO . . . . . 0.731 ' HB3' ' HZ3' ' A' 1917 ' ' LYS . 77.6 Cg_endo -92.23 21.16 0.75 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.273 2.649 . . . . 3.0899999999999999 112.388 179.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 27.1 ptt? -79.39 158.98 27.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.166 -0.47 . . . . 5.5099999999999998 110.525 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 174.69 165.5 31.2 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.933 -0.651 . . . . 2.1499999999999999 111.503 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -115.91 83.38 11.86 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.706 0.289 . . . . 3.0800000000000001 110.279 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.841 ' HA ' ' HH ' ' A' 1853 ' ' TYR . 18.5 Cg_endo -61.45 119.77 7.08 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.435 2.09 . . . . 1.3 111.891 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.699 ' H ' ' HH ' ' A' 1853 ' ' TYR . 8.6 mm-40 -82.24 -10.68 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.598 -0.728 . . . . 2.8199999999999998 109.911 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -138.72 -165.99 10.47 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.393 -0.821 . . . . 1.21 111.259 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 8.4 p -86.33 174.3 9.14 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.705 0.288 . . . . 1.9399999999999999 110.723 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.85 -46.11 85.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.89000000000000001 110.416 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 5.3 p -60.49 -34.22 57.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.333 -0.394 . . . . 1.3400000000000001 111.321 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.32 -53.02 62.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.974 0.416 . . . . 1.71 110.532 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.841 ' HH ' ' HA ' ' A' 1846 ' ' PRO . 66.7 m-85 -67.54 -35.77 79.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.203 -0.453 . . . . 1.4299999999999999 110.809 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.612 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.9 tt0 -57.05 -56.83 16.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.223 -0.444 . . . . 1.21 110.968 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.404 ' HA ' HG22 ' A' 1858 ' ' VAL . 3.7 t -63.47 -28.04 69.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 2.1099999999999999 110.473 -176.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 33.3 m -74.76 -43.47 54.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.166 0.508 . . . . 1.1899999999999999 110.421 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.2 mtp -69.95 -43.87 70.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 1.1000000000000001 111.656 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.613 ' O ' ' HG2' ' A' 1862 ' ' LYS . 33.5 m -63.64 -38.21 81.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.478 -0.489 . . . . 1.0700000000000001 110.871 -177.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -64.45 -43.05 95.47 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.042 0.449 . . . . 3.6299999999999999 110.589 176.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.428 ' O ' HG22 ' A' 1864 ' ' ILE . 38.7 m -67.3 -33.46 75.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.032 -0.531 . . . . 1.1100000000000001 110.278 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.93 -38.38 90.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 1.0900000000000001 110.222 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' 1858 ' ' VAL . 60.0 mmtt -61.26 -40.22 93.28 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.314 -0.625 . . . . 1.8799999999999999 109.314 174.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.29 -40.64 81.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.161 -0.927 . . . . 1.1499999999999999 111.674 -177.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.76 HD12 HG22 ' A' 1961 ' ' VAL . 1.5 pp -73.17 -28.48 26.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.227 -0.589 . . . . 1.0800000000000001 109.789 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.749 ' HB1' HG13 ' A' 1961 ' ' VAL . . . -70.47 -42.42 71.44 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.187 -0.46 . . . . 0.98999999999999999 111.088 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.457 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.6 p -67.89 -27.61 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.312 -0.555 . . . . 1.45 109.883 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 92.0 m -68.27 -52.83 29.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.006 -0.543 . . . . 1.0600000000000001 110.743 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.747 HG21 HD12 ' A' 1930 ' ' LEU . 2.9 p -65.03 -36.51 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.157 -0.217 . . . . 1.05 111.054 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -69.36 -26.49 64.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.148 0.499 . . . . 0.91000000000000003 109.744 177.757 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.4 -35.39 54.36 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.739 -0.467 . . . . 0.56999999999999995 109.739 176.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1871 ' ' MET . . . . . . . . . . . . . 27.7 mmm -60.27 -49.1 78.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.549 -0.296 . . . . 1.25 111.105 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.478 HG21 HG22 ' A' 1951 ' ' ILE . 4.8 p -62.56 -41.56 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.433 0.635 . . . . 1.27 110.706 178.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 42.6 m -67.85 -46.04 72.87 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.194 -0.912 . . . . 1.1499999999999999 111.193 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 1.018 ' HE3' ' HA ' ' A' 1874 ' ' LYS . 0.0 OUTLIER -66.97 -31.06 71.39 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 116.457 -0.338 . . . . 1.97 111.736 -178.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 56.1 m -62.13 -24.77 67.35 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 120.237 -0.585 . . . . 1.74 110.898 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -81.86 -32.92 30.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.872 -0.604 . . . . 0.76000000000000001 111.698 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 3.5 p -109.73 -45.71 3.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.125 0.787 . . . . 1.71 113.125 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 71.5 m -143.14 87.61 8.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.327 -0.397 . . . . 1.4299999999999999 111.061 -169.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -70.32 -2.27 10.3 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.72 2.28 . . . . 1.02 112.604 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.3 -24.5 37.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.037 0.446 . . . . 2.2400000000000002 110.681 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' 1885 ' ' LEU . 49.7 mm-40 -81.02 -10.73 59.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 1.8899999999999999 111.822 -176.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.488 HD11 HD11 ' A' 1937 ' ' LEU . 74.2 mt -64.43 -34.66 78.7 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.042 0.386 . . . . 1.1399999999999999 112.042 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -61.75 -55.47 28.38 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 120.544 -0.836 . . . . 0.42999999999999999 112.778 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.404 ' HD2' ' O ' ' A' 1881 ' ' GLU . 52.1 Cg_exo -58.28 -39.17 86.9 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.694 2.263 . . . . 1.0 112.871 174.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.455 HD13 ' HG3' ' A' 1874 ' ' LYS . 75.6 mt -70.41 -45.24 66.32 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.03 -0.268 . . . . 1.0700000000000001 110.951 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1886 ' ' ALA . . . . . 0.475 ' HB3' HG13 ' A' 1931 ' ' VAL . . . -57.8 -32.38 67.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.169 0.509 . . . . 1.1000000000000001 109.984 173.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1887 ' ' ASN . . . . . 0.466 ' HA ' ' HE2' ' A' 1827 ' ' MET . 8.3 t-20 -68.44 -48.18 65.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 1.4299999999999999 110.575 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -65.98 -41.93 90.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.734 -0.666 . . . . 1.0700000000000001 110.533 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 55.1 tp -56.51 -42.38 78.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.238 0.542 . . . . 1.05 109.719 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 36.7 m -63.46 -46.66 85.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.428 -0.805 . . . . 1.0800000000000001 111.344 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 11.0 t -66.48 -49.87 65.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 1.72 111.359 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.85 -28.68 66.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.214 -0.448 . . . . 0.80000000000000004 111.796 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 46.3 t80 -64.67 -41.51 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.93 -0.308 . . . . 1.05 110.653 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -68.15 -33.93 79.74 Favored Glycine 0 CA--C 1.505 -0.538 0 N-CA-C 110.306 -1.118 . . . . 0.34000000000000002 110.306 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.73 -45.1 94.32 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.382 -0.909 . . . . 3.48 110.14 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.419 HD23 ' HB ' ' A' 1860 ' ' THR . 28.7 mt -59.33 -51.56 69.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 1.45 110.98 174.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1897 ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' 1834 ' ' ALA . . . -60.46 -43.91 96.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.87 -0.605 . . . . 1.1499999999999999 112.197 -176.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 73.1 m -61.9 -39.94 93.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.807 -0.179 . . . . 1.8899999999999999 111.314 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -77.29 -23.82 51.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.647 0.261 . . . . 1.5600000000000001 111.525 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.46 -32.23 73.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 1.0700000000000001 111.931 -177.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.724 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 9.1 mtpm? -64.76 -55.55 27.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.679 -0.237 . . . . 2.8500000000000001 111.338 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.724 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 33.9 Cg_exo -59.93 -31.38 93.6 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.019 1.812 . . . . 0.87 112.208 173.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.28 96.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 1.0700000000000001 110.645 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -64.71 -43.95 91.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.99 -0.55 . . . . 1.0800000000000001 111.427 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.411 HG11 ' HA ' ' A' 1902 ' ' PRO . 11.8 p -75.56 -28.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.534 -0.303 . . . . 1.9199999999999999 111.427 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.29 -13.96 56.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 1.1699999999999999 110.95 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.45 142.39 56.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.036 -0.529 . . . . 1.23 110.662 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.77 -1.8 44.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.17 0.509 . . . . 2.6699999999999999 110.738 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.48 ' HB3' HG12 ' A' 1912 ' ' ILE . 53.4 t-20 -141.26 128.18 20.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.196 -0.668 . . . . 2.4900000000000002 109.196 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -66.26 -33.84 76.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.66 0.267 . . . . 2.2400000000000002 110.782 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.3 -35.42 77.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 2.4900000000000002 110.342 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.533 ' O ' HG13 ' A' 1916 ' ' ILE . 47.2 mm -66.05 -51.08 64.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.905 -0.588 . . . . 1.3899999999999999 110.059 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.54 -40.67 99.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.918 -0.658 . . . . 0.57999999999999996 112.248 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.66 94.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.996 0.427 . . . . 1.22 110.541 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.525 ' HD1' ' HA ' ' A' 1967 ' ' ALA . 2.6 t-80 -65.87 -37.96 87.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.104 -0.498 . . . . 2.1800000000000002 109.984 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' 1912 ' ' ILE . 92.1 mt -63.15 -55.3 24.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.198 -0.456 . . . . 1.1299999999999999 110.811 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.731 ' HZ3' ' HB3' ' A' 1842 ' ' PRO . 18.9 ptpt -60.37 -40.24 90.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.8100000000000001 111.055 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1918 ' ' HIS . . . . . 0.45 ' N ' ' HG3' ' A' 1917 ' ' LYS . 27.4 m170 -70.3 -26.68 63.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.607 -0.27 . . . . 2.52 111.592 -175.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.804 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 23.2 mmt180 -79.44 -26.59 41.76 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.827 -0.349 . . . . 3.1499999999999999 110.947 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' 1916 ' ' ILE . 28.9 t -72.86 -28.43 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.086 -0.709 . . . . 1.1200000000000001 109.086 172.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' 1917 ' ' LYS . 20.3 mm-40 -62.03 -40.71 96.65 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.337 -0.616 . . . . 1.22 109.337 172.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.9 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 1.6 mt-10 -55.51 -49.74 71.8 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.418 -0.81 . . . . 1.49 109.734 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.15 -41.64 97.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.196 -0.911 . . . . 1.3700000000000001 111.02 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.59 -45.93 66.87 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.25 -0.5 . . . . 0.64000000000000001 112.782 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -75.53 -41.03 56.1 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.93 -0.308 . . . . 0.85999999999999999 110.636 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.98 -52.34 28.99 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.977 -0.63 . . . . 0.28000000000000003 112.842 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 77.3 m -62.66 -37.69 87.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.596 0.198 . . . . 1.6599999999999999 111.056 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 23.4 t -58.28 -47.83 82.4 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.231 0.539 . . . . 1.5 109.994 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.17 95.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.572 -0.74 . . . . 1.01 110.532 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.747 HD12 HG21 ' A' 1868 ' ' VAL . 1.6 mt -59.31 -53.22 60.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.797 -0.638 . . . . 1.0700000000000001 111.577 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.54 ' HB ' HG11 ' A' 1824 ' ' VAL . 26.7 m -66.18 -34.76 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 1.0800000000000001 110.893 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 92.0 m -68.1 -43.26 78.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.139 -0.482 . . . . 1.4099999999999999 110.838 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.449 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.9 tptt -67.85 -40.19 83.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 1.6799999999999999 110.177 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1934 ' ' ALA . . . . . 0.425 ' HB2' ' HB3' ' A' 1882 ' ' LEU . . . -61.86 -37.95 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 1.03 111.159 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.23 -41.07 96.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.757 -0.735 . . . . 0.42999999999999999 111.753 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.96 -33.71 63.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.952 0.406 . . . . 1.3100000000000001 110.641 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.488 HD11 HD11 ' A' 1882 ' ' LEU . 2.8 tm? -69.6 -36.47 76.25 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 116.117 -0.492 . . . . 1.1200000000000001 110.08 -177.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -70.48 -26.31 63.56 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.445 -0.502 . . . . 1.46 111.225 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1939 ' ' CYS . . . . . 0.405 ' SG ' HG13 ' A' 1823 ' ' VAL . 78.0 m -77.24 -29.35 54.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.963 0.411 . . . . 2.3599999999999999 110.259 174.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 5.2 m -135.23 69.29 69.32 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.804 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.21 -6.42 17.29 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.605 2.204 . . . . 0.72999999999999998 112.401 -174.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 49.7 m -108.76 9.06 27.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.669 -0.696 . . . . 1.95 111.061 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -91.3 111.83 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.851 -0.425 . . . . 1.1599999999999999 109.851 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 31.1 m -67.42 -36.85 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.96 111.728 -174.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 51.0 t80 -63.61 -50.47 69.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.946 -0.57 . . . . 2.25 111.027 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.407 ' HA ' ' HE3' ' A' 1933 ' ' LYS . 32.0 m -61.77 -41.9 98.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.267 -0.424 . . . . 1.1200000000000001 110.917 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.411 ' HB2' HD21 ' A' 1937 ' ' LEU . 38.6 ttpt -66.09 -45.63 80.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 1.8500000000000001 110.603 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 83.9 tttt -57.22 -46.13 83.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.834 -0.621 . . . . 3.1899999999999999 110.838 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.449 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 28.2 mt-10 -64.5 -37.63 88.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 1.53 111.461 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.34 -37.89 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.806 -0.442 . . . . 1.0900000000000001 109.806 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.478 HG22 HG21 ' A' 1872 ' ' VAL . 76.7 mt -58.31 -46.79 88.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.799 -0.445 . . . . 1.1100000000000001 109.799 173.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' 1956 ' ' ARG . 25.6 mm-40 -59.23 -48.37 81.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.901 -0.59 . . . . 2.1099999999999999 110.847 175.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.513 ' O ' HG21 ' A' 1957 ' ' VAL . 81.8 m -57.29 -45.13 84.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 1.6799999999999999 110.688 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.36 -43.64 98.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 1.0800000000000001 111.07 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.488 ' O ' ' HG3' ' A' 1959 ' ' GLU . 57.7 mtp180 -61.16 -41.97 97.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.45 . . . . 3.7200000000000002 110.358 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' A' 1960 ' ' LYS . 77.8 mtp180 -64.57 -43.49 93.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.061 -0.518 . . . . 3.6299999999999999 111.135 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.606 ' HB ' HG22 ' A' 1868 ' ' VAL . 87.6 t -66.08 -38.44 82.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.543 -0.299 . . . . 1.0600000000000001 110.823 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 35.1 t -56.19 -37.3 69.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 1.6599999999999999 110.215 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' 1955 ' ' ARG . 38.1 mt-10 -69.82 -33.38 72.24 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.099 -0.501 . . . . 1.8600000000000001 110.433 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.9 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.2 mmtt -67.2 -35.85 80.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.863 -0.608 . . . . 1.4199999999999999 110.159 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.76 HG22 HD12 ' A' 1864 ' ' ILE . 43.9 t -58.28 -46.16 89.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.381 -0.372 . . . . 1.0800000000000001 110.564 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 47.9 t -59.71 -37.4 78.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 1.54 110.053 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.804 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 24.8 m170 -65.03 -41.08 95.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.521 . . . . 1.8899999999999999 110.871 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' 1960 ' ' LYS . 61.5 t -69.01 -45.33 80.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 1.1200000000000001 110.56 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.7 -45.34 94.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.175 -0.466 . . . . 1.0800000000000001 110.665 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.79 66.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 1.1200000000000001 111.189 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1967 ' ' ALA . . . . . 0.525 ' HA ' ' HD1' ' A' 1915 ' ' HIS . . . -68.68 -44.56 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 1.0900000000000001 110.382 176.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.612 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -70.01 -46.28 65.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.054 -0.521 . . . . 1.1000000000000001 110.48 176.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1969 ' ' GLN . . . . . 0.672 ' HA ' ' OD1' ' A' 1972 ' ' ASN . 1.2 mp0 -63.03 -21.73 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 1.7 111.835 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -67.65 -21.23 65.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.028 0.442 . . . . 1.46 110.617 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -93.55 4.74 73.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.961 -0.638 . . . . 2.0 112.522 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1972 ' ' ASN . . . . . 0.672 ' OD1' ' HA ' ' A' 1969 ' ' GLN . 21.5 m120 -88.21 115.52 25.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.83 0.348 . . . . 5.0099999999999998 110.687 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.775 -0.631 . . . . 8.1600000000000001 110.153 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 112.302 -0.319 . . . . 21.93 112.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 44.7 pt -98.84 -16.87 6.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.106 0.479 . . . . 20.550000000000001 110.909 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -94.82 165.03 17.98 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.937 -0.574 . . . . 19.41 109.66 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -48.22 121.13 5.7 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.748 2.299 . . . . 18.440000000000001 112.391 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1813 ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' 1815 ' ' ASN . 25.6 p90 -70.88 -22.11 62.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.03 -0.532 . . . . 20.98 111.142 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 32.9 m 62.55 90.21 0.08 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.464 0.649 . . . . 16.809999999999999 111.384 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.421 ' HB3' ' CE1' ' A' 1813 ' ' PHE . 27.6 t30 -156.09 92.9 1.38 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.626 -0.716 . . . . 16.420000000000002 109.959 177.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 56.45 76.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.25 -0.886 . . . . 14.41 111.779 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -156.82 93.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.62 -0.718 . . . . 12.27 110.14 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -99.47 153.66 18.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.28 -0.418 . . . . 10.710000000000001 110.965 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 12.3 m -74.08 105.35 5.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.487 -0.56 . . . . 8.9499999999999993 109.487 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -84.79 164.19 18.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.212 -0.449 . . . . 7.1900000000000004 111.606 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . 76.89 -54.03 0.57 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 124.323 1.015 . . . . 5.0 112.291 175.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 81.99 -49.52 4.11 Favored Glycine 0 N--CA 1.453 -0.169 0 N-CA-C 111.231 -0.748 . . . . 4.2199999999999998 111.231 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 29.8 m -85.87 -178.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.553 -0.536 . . . . 2.7200000000000002 109.553 172.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1824 ' ' VAL . . . . . . . . . . . . . 87.4 t -96.91 91.35 2.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.67 0.748 . . . . 1.9199999999999999 111.061 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -146.65 118.04 1.0 Allowed Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.788 -1.096 . . . . 2.1000000000000001 110.685 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 121.36 -61.0 0.54 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.715 -0.755 . . . . 1.3899999999999999 111.758 -174.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1827 ' ' MET . . . . . . . . . . . . . 27.3 ptt? -75.99 -19.08 59.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 1.79 110.953 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 13.5 p -67.89 -23.87 29.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.15 0.5 . . . . 1.28 110.077 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.36 -30.46 71.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.712 -0.677 . . . . 0.87 110.456 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 46.1 m -66.29 -32.39 73.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 1.3500000000000001 110.67 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.515 HG22 ' CE2' ' A' 1893 ' ' TYR . 66.7 mt -70.11 -46.17 73.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.089 -0.505 . . . . 1.0900000000000001 110.097 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 4.4 m -65.71 -37.87 87.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.846 -0.616 . . . . 1.1399999999999999 110.441 177.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -58.15 -43.41 87.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.329 -0.851 . . . . 3.02 109.847 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.528 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -61.27 -36.33 79.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.11 -0.95 . . . . 1.0600000000000001 111.501 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1835 ' ' ILE . . . . . 0.66 ' HA ' HE22 ' A' 1921 ' ' GLN . 34.7 mt -62.6 -40.43 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 1.1899999999999999 110.54 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1836 ' ' ASN . . . . . 0.471 ' N ' HD21 ' A' 1836 ' ' ASN . 0.9 OUTLIER -77.24 -40.27 45.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.057 -0.52 . . . . 0.80000000000000004 111.108 -175.858 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1837 ' ' GLN . . . . . 0.528 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.3 pt20 -64.09 -31.82 73.15 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.642 0.238 . . . . 1.0 111.642 -175.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.62 -43.28 69.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.805 0.336 . . . . 1.25 110.729 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 35.6 t70 -73.37 -26.08 60.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 1.79 109.967 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.59 -43.69 84.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.36 -0.836 . . . . 3.25 110.875 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 160.79 170.86 25.96 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.499 -0.858 . . . . 2.2799999999999998 112.489 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -93.33 -168.52 0.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.326 2.684 . . . . 3.0899999999999999 112.271 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1843 ' ' MET . . . . . 0.524 ' HG2' ' HB3' ' A' 1901 ' ' LYS . 20.7 mmt -105.78 107.22 18.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.697 -0.482 . . . . 5.5099999999999998 109.697 174.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -68.89 149.27 49.15 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.859 -0.686 . . . . 2.1499999999999999 112.409 -176.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 20.3 m-20 57.41 69.97 1.47 Allowed Pre-proline 0 C--N 1.327 -0.38 0 C-N-CA 122.993 0.517 . . . . 3.0800000000000001 110.73 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.6 135.57 65.21 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.611 2.207 . . . . 1.3 111.684 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -93.72 12.27 26.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 2.8199999999999998 110.97 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -148.01 167.0 28.9 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.882 -0.887 . . . . 1.21 110.882 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 19.6 m -81.67 167.14 19.49 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.878 -0.416 . . . . 1.9399999999999999 109.878 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.506 ' HB2' ' O ' ' A' 1906 ' ' ALA . 45.5 t80 -59.91 -36.64 77.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.202 -0.296 . . . . 0.89000000000000001 110.202 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 4.9 p -57.77 -38.75 67.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.12 -0.491 . . . . 1.3400000000000001 111.579 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1852 ' ' ASP . . . . . 0.404 ' O ' HG21 ' A' 1855 ' ' THR . 13.9 t70 -64.35 -55.67 19.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.896 0.379 . . . . 1.71 110.514 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -63.83 -36.75 84.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 1.4299999999999999 110.579 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.641 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.7 tt0 -58.63 -55.74 31.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.5 . . . . 1.21 110.944 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.404 HG21 ' O ' ' A' 1852 ' ' ASP . 1.5 t -64.68 -26.09 68.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.485 . . . . 2.1099999999999999 110.618 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 16.5 m -75.54 -46.08 34.23 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.359 -0.382 . . . . 1.1899999999999999 110.029 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.507 ' HE2' HG21 ' A' 1916 ' ' ILE . 84.4 mtp -66.21 -45.84 79.33 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.232 -0.44 . . . . 1.1000000000000001 111.982 -177.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.719 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.8 m -60.08 -37.29 72.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.71 -0.396 . . . . 1.0700000000000001 111.227 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -71.89 -42.07 67.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.798 0.332 . . . . 3.6299999999999999 110.755 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.472 ' HB ' HD21 ' A' 1896 ' ' LEU . 16.6 m -65.87 -35.06 79.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 1.1100000000000001 110.591 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.519 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.02 -43.18 96.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 1.0900000000000001 110.585 176.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' 1858 ' ' VAL . 63.4 mttm -61.77 -32.35 72.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.984 0.421 . . . . 1.8799999999999999 110.636 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.47 82.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 1.1499999999999999 111.169 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.729 HD13 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.84 -26.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.374 -0.53 . . . . 1.0800000000000001 109.946 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.823 ' HB2' HG12 ' A' 1961 ' ' VAL . . . -72.08 -41.33 67.47 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.263 -0.426 . . . . 0.98999999999999999 111.499 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.4 p -66.78 -27.77 40.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.165 0.507 . . . . 1.45 109.832 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 85.2 m -71.52 -45.84 61.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.61 . . . . 1.0600000000000001 110.986 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.829 HG23 ' HB ' ' A' 1957 ' ' VAL . 3.9 p -71.65 -33.67 49.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 O-C-N 122.292 -0.255 . . . . 1.05 111.379 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -69.46 -26.39 64.56 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.185 -0.672 . . . . 0.91000000000000003 109.185 175.574 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' 1869 ' ' GLN . 7.1 tp10 -75.47 -35.67 60.81 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.634 -0.712 . . . . 0.56999999999999995 109.907 176.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.57 ' SD ' HD22 ' A' 1882 ' ' LEU . 4.9 mmt -51.49 -56.4 13.53 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.11 -0.495 . . . . 1.25 111.838 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.509 HG23 HG23 ' A' 1951 ' ' ILE . 8.6 p -59.04 -36.95 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 1.27 110.894 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 99.1 m -75.18 -42.39 55.94 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.099 -0.955 . . . . 1.1499999999999999 111.238 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.795 ' HE3' ' HA ' ' A' 1874 ' ' LYS . 0.0 OUTLIER -74.6 -34.52 62.86 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.531 -0.304 . . . . 1.97 111.653 -178.641 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 24.6 t -60.83 -27.39 68.03 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.184 0.516 . . . . 1.74 110.408 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -81.86 -26.65 34.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.781 -0.645 . . . . 0.76000000000000001 111.787 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 7.4 p -109.52 -45.98 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.097 0.777 . . . . 1.71 113.097 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.2 t -149.36 98.47 3.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.53 -0.544 . . . . 1.4299999999999999 109.53 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.97 -19.32 63.83 Favored 'Trans proline' 0 C--N 1.339 0.073 0 C-N-CA 122.805 2.337 . . . . 1.02 112.823 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.58 -15.54 59.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.781 0.324 . . . . 2.2400000000000002 111.294 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.694 ' O ' ' HG ' ' A' 1885 ' ' LEU . 37.5 mm-40 -76.23 -19.74 58.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.799 0.333 . . . . 1.8899999999999999 110.447 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.57 HD22 ' SD ' ' A' 1871 ' ' MET . 88.4 mt -67.18 -32.97 74.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.923 -0.58 . . . . 1.1399999999999999 111.699 -174.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -61.82 -55.57 27.66 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.714 -0.755 . . . . 0.42999999999999999 112.692 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -54.4 -38.47 89.33 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.664 2.243 . . . . 1.0 112.498 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.694 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.7 mt -69.68 -43.07 73.27 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.718 0.294 . . . . 1.0700000000000001 110.498 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1886 ' ' ALA . . . . . 0.424 ' HA ' HG11 ' A' 1931 ' ' VAL . . . -59.29 -31.95 69.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.173 0.511 . . . . 1.1000000000000001 109.914 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.03 -46.06 58.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.589 -0.732 . . . . 1.4299999999999999 110.446 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -67.32 -42.22 84.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 1.0700000000000001 110.621 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 42.3 tp -58.5 -35.89 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.154 0.502 . . . . 1.05 109.823 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 47.9 m -68.22 -51.8 41.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.576 -0.738 . . . . 1.0800000000000001 111.233 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 65.1 p -63.95 -47.89 78.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.293 0.568 . . . . 1.72 111.257 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.41 ' CB ' HG23 ' A' 1864 ' ' ILE . 1.4 m-20 -66.15 -32.66 74.24 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.347 -0.842 . . . . 0.80000000000000004 111.583 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1893 ' ' TYR . . . . . 0.515 ' CE2' HG22 ' A' 1831 ' ' ILE . 66.4 t80 -65.8 -43.22 89.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.733 0.301 . . . . 1.05 110.42 176.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.61 -29.15 63.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.013 -0.613 . . . . 0.34000000000000002 112.087 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -70.14 -46.67 64.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.149 -0.315 . . . . 3.48 110.149 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.472 HD21 ' HB ' ' A' 1860 ' ' THR . 17.2 mt -60.48 -39.75 88.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.327 -0.397 . . . . 1.45 110.974 176.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.43 72.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.027 -0.533 . . . . 1.1499999999999999 111.339 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 36.8 t -74.37 -36.83 63.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.14 -0.482 . . . . 1.8899999999999999 110.431 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -75.77 -30.68 59.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.948 -0.569 . . . . 1.5600000000000001 111.526 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.88 82.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.355 0.502 . . . . 1.0700000000000001 112.355 -175.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.524 ' HB3' ' HG2' ' A' 1843 ' ' MET . 47.7 mttm -56.37 -58.74 14.96 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.166 0.432 . . . . 2.8500000000000001 112.166 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1902 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.63 -29.18 13.34 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 121.737 1.625 . . . . 0.87 112.632 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.81 99.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 1.0700000000000001 111.018 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.54 99.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 1.0800000000000001 111.723 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' 1843 ' ' MET . 7.9 p -77.04 -27.38 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.352 -0.386 . . . . 1.9199999999999999 111.618 -177.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1906 ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -93.94 0.5 56.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.652 0.263 . . . . 1.1699999999999999 111.578 -176.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1907 ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' 1850 ' ' PHE . . . -67.34 155.55 38.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.457 . . . . 1.23 111.568 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -61.21 -51.54 68.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.662 -0.699 . . . . 2.6699999999999999 111.747 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.517 ' HB2' HD11 ' A' 1912 ' ' ILE . 65.7 m-20 -116.37 159.99 21.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.49 -0.323 . . . . 2.4900000000000002 110.354 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.07 -33.93 76.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 2.2400000000000002 110.908 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.34 -44.72 78.36 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.855 0.36 . . . . 2.4900000000000002 110.239 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.54 ' O ' HG13 ' A' 1916 ' ' ILE . 2.0 mp -58.53 -49.48 82.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 1.3899999999999999 110.187 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.16 -42.06 99.72 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.722 -0.752 . . . . 0.57999999999999996 112.415 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.25 87.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.034 0.445 . . . . 1.22 110.753 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.541 ' O ' ' HG2' ' A' 1919 ' ' ARG . 16.2 m-70 -68.38 -37.32 80.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 2.1800000000000002 110.93 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' 1912 ' ' ILE . 70.3 mt -56.56 -54.96 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.592 0.234 . . . . 1.1299999999999999 111.197 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' 1921 ' ' GLN . 19.7 ptpt -63.15 -34.6 77.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 1.8100000000000001 110.85 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -71.36 -37.7 71.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.052 0.39 . . . . 2.52 112.052 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.687 ' HA ' ' HG3' ' A' 1922 ' ' GLU . 37.9 mmt180 -70.15 -29.3 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.771 0.32 . . . . 3.1499999999999999 111.508 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 39.9 t -71.69 -27.86 29.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.097 0.475 . . . . 1.1200000000000001 110.085 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.66 HE22 ' HA ' ' A' 1835 ' ' ILE . 0.0 OUTLIER -68.68 -25.66 64.91 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.717 -0.475 . . . . 1.22 109.717 177.471 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.724 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 9.0 mt-10 -67.16 -45.2 77.72 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.0 -0.546 . . . . 1.49 109.714 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.66 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.2 mt -66.67 -30.43 70.68 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.805 -0.813 . . . . 1.3700000000000001 108.805 173.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -56.36 -31.38 59.63 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.792 -0.718 . . . . 0.64000000000000001 112.128 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -94.58 -42.96 8.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.673 0.273 . . . . 0.85999999999999999 110.817 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.65 -55.11 12.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.843 -0.694 . . . . 0.28000000000000003 112.626 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 87.7 m -61.36 -37.75 84.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.281 0.232 . . . . 1.6599999999999999 110.861 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 9.2 t -62.69 -46.34 88.62 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.989 0.424 . . . . 1.5 110.023 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.86 93.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 1.01 110.646 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.6 HD12 HG21 ' A' 1957 ' ' VAL . 0.4 OUTLIER -61.65 -53.07 61.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 1.0700000000000001 110.785 -178.475 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.424 HG11 ' HA ' ' A' 1886 ' ' ALA . 28.9 m -63.04 -38.13 81.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.773 0.32 . . . . 1.0800000000000001 110.793 -178.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 98.3 m -62.44 -45.97 90.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.224 0.535 . . . . 1.4099999999999999 110.385 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.478 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.8 tptt -67.25 -38.22 84.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.481 -0.781 . . . . 1.6799999999999999 110.852 -176.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1934 ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -60.51 -42.39 96.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.603 -0.271 . . . . 1.03 111.449 177.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.33 98.01 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.479 -0.867 . . . . 0.42999999999999999 111.587 176.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.24 -23.77 59.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.861 0.362 . . . . 1.3100000000000001 111.032 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.555 HD11 HD13 ' A' 1882 ' ' LEU . 2.7 tm? -77.43 -34.98 54.45 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.509 -0.552 . . . . 1.1200000000000001 109.509 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -69.95 -25.97 63.9 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.302 -0.559 . . . . 1.46 110.043 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 35.3 t -77.38 -17.89 57.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.342 -0.844 . . . . 2.3599999999999999 110.423 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 22.9 m -150.95 67.57 7.81 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 1.0 110.14 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -67.42 -15.71 46.04 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.704 2.269 . . . . 0.72999999999999998 113.089 -173.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 23.1 t -104.69 5.89 33.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.281 -0.418 . . . . 1.95 110.711 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -89.65 112.87 24.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.734 0.302 . . . . 1.1599999999999999 110.527 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 13.6 m -64.31 -37.69 80.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.049 -0.523 . . . . 1.96 112.062 -176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.482 ' O ' ' HG3' ' A' 1949 ' ' GLU . 36.2 t80 -60.29 -52.2 66.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.717 0.294 . . . . 2.25 110.464 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 32.4 m -63.35 -44.1 95.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 1.1200000000000001 111.289 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.51 -47.27 82.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 1.8500000000000001 111.005 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.56 -41.2 89.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 3.1899999999999999 110.782 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' 1945 ' ' TYR . 49.5 mt-10 -66.08 -36.04 82.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 1.53 111.007 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.3 -39.67 85.96 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.927 -0.398 . . . . 1.0900000000000001 109.927 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.584 ' O ' ' HG3' ' A' 1955 ' ' ARG . 81.2 mt -57.62 -44.33 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 1.1100000000000001 109.845 175.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -62.18 -42.96 99.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.826 -0.625 . . . . 2.1099999999999999 111.057 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.528 ' O ' HG23 ' A' 1957 ' ' VAL . 71.8 m -59.31 -44.51 92.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 1.6799999999999999 110.414 177.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.86 89.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 1.0800000000000001 110.889 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' 1951 ' ' ILE . 82.2 mtp180 -60.65 -46.47 90.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.512 . . . . 3.7200000000000002 110.456 177.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' 1960 ' ' LYS . 46.7 mtm180 -64.65 -43.7 92.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.734 -0.666 . . . . 3.6299999999999999 111.269 -178.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.829 ' HB ' HG23 ' A' 1868 ' ' VAL . 61.4 t -62.79 -44.73 99.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.595 0.236 . . . . 1.0600000000000001 110.569 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 41.9 m -55.91 -37.56 69.07 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.282 -0.417 . . . . 1.6599999999999999 110.804 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.458 ' O ' ' HD2' ' A' 1963 ' ' HIS . 47.2 mt-10 -60.85 -51.36 69.65 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.148 0.499 . . . . 1.8600000000000001 110.335 176.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.724 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.2 mmtt -59.42 -37.66 78.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.268 -0.878 . . . . 1.4199999999999999 111.382 -173.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.823 HG12 ' HB2' ' A' 1865 ' ' ALA . 23.8 t -55.51 -44.99 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.053 0.454 . . . . 1.0800000000000001 110.473 178.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 22.7 t -62.94 -37.94 89.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.756 -0.656 . . . . 1.54 110.125 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.55 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 75.5 m-70 -67.38 -40.39 85.69 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.247 -0.433 . . . . 1.8899999999999999 110.425 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.537 HG22 ' HB3' ' A' 1919 ' ' ARG . 62.3 t -62.31 -50.62 79.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.089 0.471 . . . . 1.1200000000000001 110.102 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' 1861 ' ' ALA . 97.3 mt -59.21 -36.1 74.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.738 -0.665 . . . . 1.0800000000000001 110.907 179.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.01 85.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.415 -0.357 . . . . 1.1200000000000001 111.033 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.78 99.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.368 -0.378 . . . . 1.0900000000000001 111.252 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.641 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.0 mm? -68.84 -51.69 37.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 1.1000000000000001 111.098 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -14.93 63.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.168 -0.469 . . . . 1.7 111.706 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -70.72 -14.2 62.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.963 0.411 . . . . 1.46 110.898 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -106.05 35.28 5.16 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.063 -0.589 . . . . 2.0 112.382 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 2.8 m120 -77.09 100.62 5.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.765 0.317 . . . . 5.0099999999999998 110.726 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 38.3 mtp-105 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.728 -0.653 . . . . 8.1600000000000001 109.546 176.753 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 112.075 -0.41 . . . . 21.93 112.075 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1810 ' ' ILE . . . . . 0.442 HD13 ' HB2' ' A' 1817 ' ' ALA . 13.3 tt -100.96 1.58 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.199 0.523 . . . . 20.550000000000001 110.717 -176.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -118.66 92.55 44.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.278 -0.419 . . . . 19.41 111.426 -175.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -94.34 -83.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.343 2.695 . . . . 18.440000000000001 111.156 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -133.74 -57.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.803 -0.814 . . . . 20.98 108.803 171.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 26.5 m -98.63 124.75 43.61 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.958 -0.756 . . . . 16.809999999999999 108.958 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -82.86 97.44 8.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.107 0.48 . . . . 16.420000000000002 110.7 -176.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -111.14 100.21 8.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.793 -0.64 . . . . 14.41 109.626 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' 1810 ' ' ILE . . . -97.38 18.34 15.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.931 -0.577 . . . . 12.27 111.171 -176.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -54.88 -41.92 71.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 10.710000000000001 111.156 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 70.6 m -155.57 142.18 18.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.143 -0.48 . . . . 8.9499999999999993 109.831 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -77.18 64.6 2.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.313 0.578 . . . . 7.1900000000000004 110.824 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -149.71 -28.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.575 -0.739 . . . . 5.0 110.306 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 90.61 -37.16 3.41 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.919 -0.658 . . . . 4.2199999999999998 112.247 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1823 ' ' VAL . . . . . 0.742 HG23 ' HA2' ' A' 1935 ' ' GLY . 4.1 p -145.54 -178.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 110.156 -0.312 . . . . 2.7200000000000002 110.156 -177.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.941 HG13 ' HB ' ' A' 1931 ' ' VAL . 74.2 t -73.04 107.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.498 0.666 . . . . 1.9199999999999999 111.987 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -130.43 -31.36 0.57 Allowed Glycine 0 C--N 1.315 -0.617 0 CA-C-N 114.802 -1.09 . . . . 2.1000000000000001 111.492 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -81.05 -35.57 23.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 1.3899999999999999 112.391 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.656 ' HE2' HG22 ' A' 1824 ' ' VAL . 1.5 mpt? -56.78 -44.43 81.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.685 0.279 . . . . 1.79 111.387 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 11.9 p -61.93 -31.41 51.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.091 0.472 . . . . 1.28 111.246 -174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.42 -44.46 78.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.25 0.548 . . . . 0.87 110.322 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 14.8 m -64.59 -38.55 91.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.513 -0.767 . . . . 1.3500000000000001 111.055 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' 1827 ' ' MET . 80.6 mt -60.41 -44.53 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.141 0.496 . . . . 1.0900000000000001 110.601 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 34.3 m -64.7 -32.98 74.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.84 -0.618 . . . . 1.1399999999999999 111.166 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.56 -39.12 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.777 -0.453 . . . . 3.02 109.777 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' 1897 ' ' ALA . . . -62.19 -32.72 73.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.845 -0.616 . . . . 1.0600000000000001 111.2 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1835 ' ' ILE . . . . . 0.495 ' HA ' HE22 ' A' 1921 ' ' GLN . 43.5 mt -64.79 -51.32 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 1.1899999999999999 110.347 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -65.94 -30.27 70.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.664 -0.698 . . . . 0.80000000000000004 112.27 -173.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1837 ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' 1834 ' ' ALA . 11.4 pt20 -72.07 -34.69 68.89 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.075 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.435 ' HB3' ' HB3' ' A' 1917 ' ' LYS . 74.4 mt -80.12 -35.51 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 1.25 111.159 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.94 -29.94 71.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.876 -0.602 . . . . 1.79 110.361 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -55.6 -58.9 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.438 -0.801 . . . . 3.25 110.816 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1841 ' ' GLY . . . . . 0.455 ' O ' ' HE3' ' A' 1901 ' ' LYS . . . 164.05 -174.08 40.13 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.462 -0.655 . . . . 2.2799999999999998 111.462 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1842 ' ' PRO . . . . . 0.512 ' HB3' ' HB3' ' A' 1904 ' ' ALA . 71.0 Cg_endo -94.22 -91.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.868 2.378 . . . . 3.0899999999999999 112.363 175.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 65.2 mtt 54.67 -170.6 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.212 0.529 . . . . 5.5099999999999998 111.973 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 102.21 180.0 27.27 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.506 -0.854 . . . . 2.1499999999999999 112.857 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1845 ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' A' 1846 ' ' PRO . 31.2 t70 -121.58 84.74 42.85 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.111 -0.7 . . . . 3.0800000000000001 109.111 170.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' 1845 ' ' ASP . 1.6 Cg_endo -46.65 131.79 16.14 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.674 2.916 . . . . 1.3 112.755 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -79.01 -9.88 59.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.564 -0.743 . . . . 2.8199999999999998 110.231 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -135.79 -168.88 11.66 Favored Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.141 -0.784 . . . . 1.21 111.141 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 4.5 p -98.07 176.28 5.81 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.876 -0.416 . . . . 1.9399999999999999 109.876 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.473 ' HE1' HD11 ' A' 1916 ' ' ILE . 87.1 t80 -56.57 -48.39 77.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.236 -0.283 . . . . 0.89000000000000001 110.236 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.9 p -62.34 -36.35 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 1.3400000000000001 111.137 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.9 -48.36 76.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.075 0.464 . . . . 1.71 110.365 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.427 ' HD1' ' HB3' ' A' 1899 ' ' GLN . 50.4 m-85 -67.78 -42.42 81.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.039 -0.528 . . . . 1.4299999999999999 110.708 176.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.638 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 56.8 tt0 -56.32 -55.46 33.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.829 -0.623 . . . . 1.21 111.414 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.548 ' O ' ' HG3' ' A' 1859 ' ' ARG . 10.9 t -60.47 -28.18 68.13 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.35 -0.386 . . . . 2.1099999999999999 110.633 -177.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 33.9 m -78.0 -51.69 9.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.203 -0.453 . . . . 1.1899999999999999 110.825 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 81.9 mtp -60.66 -41.38 94.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.518 . . . . 1.1000000000000001 112.092 -176.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.71 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -62.81 -31.73 53.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.461 -0.495 . . . . 1.0700000000000001 111.072 -178.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' 1855 ' ' THR . 34.4 mtt180 -70.89 -44.02 67.17 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.02 0.438 . . . . 3.6299999999999999 110.15 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.417 ' O ' HG22 ' A' 1864 ' ' ILE . 32.0 m -66.18 -34.74 78.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.648 -0.706 . . . . 1.1100000000000001 110.756 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.36 -43.58 98.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.425 -0.352 . . . . 1.0900000000000001 110.447 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.71 ' HG3' ' O ' ' A' 1858 ' ' VAL . 83.4 mttt -61.83 -35.03 77.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.252 0.549 . . . . 1.8799999999999999 110.056 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.58 -42.67 77.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.658 -0.701 . . . . 1.1499999999999999 111.459 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.715 HD11 HG21 ' A' 1961 ' ' VAL . 1.4 pp -72.32 -26.16 24.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.292 -0.563 . . . . 1.0800000000000001 109.652 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.787 ' HB1' HG11 ' A' 1961 ' ' VAL . . . -68.98 -40.48 78.77 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.892 -0.595 . . . . 0.98999999999999999 111.267 178.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.457 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.6 p -73.79 -27.37 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.161 -0.616 . . . . 1.45 109.836 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.516 HG21 ' HB2' ' A' 1889 ' ' LEU . 61.7 m -64.85 -50.55 66.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.05 -0.523 . . . . 1.0600000000000001 110.55 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.725 HG23 HD12 ' A' 1930 ' ' LEU . 2.8 p -66.3 -37.59 80.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.698 -0.228 . . . . 1.05 111.287 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.76 -26.89 67.19 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.757 -0.46 . . . . 0.91000000000000003 109.757 178.42 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -77.4 -43.57 32.2 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 109.689 -0.486 . . . . 0.56999999999999995 109.689 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.452 ' HE3' HD23 ' A' 1930 ' ' LEU . 34.7 mmm -58.03 -47.76 82.12 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.292 -0.413 . . . . 1.25 111.606 -177.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' 1951 ' ' ILE . 12.3 p -60.32 -33.44 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.409 0.623 . . . . 1.27 110.571 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 92.9 m -80.57 -47.95 13.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.253 -0.885 . . . . 1.1499999999999999 111.281 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 7.9 mmpt? -63.08 -28.61 70.19 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.181 -0.463 . . . . 1.97 111.643 -176.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 48.8 m -56.9 -24.12 49.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.075 0.464 . . . . 1.74 111.246 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -81.26 -38.89 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.999 -0.546 . . . . 0.76000000000000001 111.796 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 68.5 p -108.71 -33.01 7.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.569 0.581 . . . . 1.71 112.569 -172.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.3 m -145.22 83.25 9.3 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.238 -0.437 . . . . 1.4299999999999999 110.972 -165.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.3 -31.36 53.07 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.343 2.028 . . . . 1.02 112.478 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.99 -28.26 66.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.443 -0.344 . . . . 2.2400000000000002 111.573 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.44 -11.0 60.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.739 0.304 . . . . 1.8899999999999999 111.095 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1882 ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.03 -26.04 65.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.228 -0.442 . . . . 1.1399999999999999 110.72 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.39 -55.69 17.07 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.412 -0.899 . . . . 0.42999999999999999 112.697 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.74 -39.85 78.32 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.672 2.248 . . . . 1.0 112.742 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.429 ' HB2' ' SD ' ' A' 1871 ' ' MET . 74.3 mt -69.73 -43.84 71.51 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.564 -0.289 . . . . 1.0700000000000001 110.826 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1886 ' ' ALA . . . . . 0.656 ' HB1' HG21 ' A' 1824 ' ' VAL . . . -56.53 -34.84 67.42 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.091 0.472 . . . . 1.1000000000000001 110.296 174.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -69.08 -44.75 71.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.653 -0.703 . . . . 1.4299999999999999 110.587 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.45 -41.88 83.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.158 -0.474 . . . . 1.0700000000000001 110.484 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.516 ' HB2' HG21 ' A' 1867 ' ' THR . 54.2 tp -57.04 -39.84 75.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.218 0.532 . . . . 1.05 109.693 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1890 ' ' THR . . . . . 0.453 ' OG1' ' HB3' ' A' 1827 ' ' MET . 54.7 m -71.12 -44.0 66.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.305 -0.861 . . . . 1.0800000000000001 111.811 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 50.5 p -72.32 -51.37 21.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.791 0.329 . . . . 1.72 111.036 -175.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.63 -39.34 76.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.102 -0.499 . . . . 0.80000000000000004 110.811 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1893 ' ' TYR . . . . . 0.455 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 51.1 t80 -64.12 -44.19 92.96 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.656 0.265 . . . . 1.05 110.867 176.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.67 -37.51 83.68 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.888 -0.673 . . . . 0.34000000000000002 111.619 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' 1895 ' ' ARG . 53.6 mtp180 -65.74 -45.84 81.09 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.114 -0.328 . . . . 3.48 110.114 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.402 HD21 ' HB ' ' A' 1860 ' ' THR . 42.8 mt -52.92 -51.75 60.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 1.45 110.475 174.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1897 ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' 1834 ' ' ALA . . . -63.21 -30.94 71.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.631 . . . . 1.1499999999999999 111.802 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1898 ' ' SER . . . . . 0.407 ' O ' ' HD2' ' A' 1902 ' ' PRO . 49.9 m -71.18 -60.16 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.769 -0.196 . . . . 1.8899999999999999 110.744 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.427 ' HB3' ' HD1' ' A' 1853 ' ' TYR . 1.1 mp0 -63.21 -24.5 67.91 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.405 0.52 . . . . 1.5600000000000001 112.405 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.9 -31.0 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.088 0.403 . . . . 1.0700000000000001 112.088 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.455 ' HE3' ' O ' ' A' 1841 ' ' GLY . 77.9 tttt -70.06 -55.26 8.58 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.536 -0.302 . . . . 2.8500000000000001 111.327 -174.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.416 ' CD ' ' HB3' ' A' 1901 ' ' LYS . 25.7 Cg_endo -64.75 -29.25 59.62 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 121.916 1.744 . . . . 0.87 112.166 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.67 87.02 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.977 0.418 . . . . 1.0700000000000001 110.367 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1904 ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' 1842 ' ' PRO . . . -62.67 -43.81 97.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.529 -0.76 . . . . 1.0800000000000001 111.479 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' 1842 ' ' PRO . 9.2 p -76.77 -27.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 1.9199999999999999 111.263 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -67.91 -29.33 68.39 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.021 0.439 . . . . 1.1699999999999999 110.705 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.97 148.04 51.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.759 -0.655 . . . . 1.23 110.038 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.45 -24.98 29.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 2.6699999999999999 110.532 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.65 ' HB2' HG12 ' A' 1912 ' ' ILE . 90.4 m-20 -97.66 123.05 41.42 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.768 -0.456 . . . . 2.4900000000000002 109.768 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.84 -35.63 75.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.169 0.509 . . . . 2.2400000000000002 109.888 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1911 ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' 1915 ' ' HIS . 2.0 mp0 -62.52 -34.81 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.747 -0.66 . . . . 2.4900000000000002 110.855 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.65 HG12 ' HB2' ' A' 1909 ' ' ASN . 46.5 mm -66.45 -47.0 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.52 -0.548 . . . . 1.3899999999999999 109.52 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1913 ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -60.15 -44.34 97.46 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.652 -0.704 . . . . 0.57999999999999996 111.965 176.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.9 94.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.255 0.55 . . . . 1.22 110.116 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' 1911 ' ' GLU . 2.9 t-160 -62.25 -40.16 95.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.886 -1.052 . . . . 2.1800000000000002 110.544 -177.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' 1920 ' ' VAL . 93.2 mt -62.0 -55.33 24.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.364 -0.38 . . . . 1.1299999999999999 110.796 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.572 ' O ' ' HG2' ' A' 1921 ' ' GLN . 46.5 mtmt -61.62 -46.11 91.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.583 . . . . 1.8100000000000001 111.049 -176.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -65.64 -29.25 69.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.765 -0.652 . . . . 2.52 112.038 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' 1919 ' ' ARG . 25.2 mmt180 -78.62 -26.48 45.28 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.695 -0.402 . . . . 3.1499999999999999 110.889 177.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' 1916 ' ' ILE . 59.6 t -72.55 -30.53 34.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.248 -0.649 . . . . 1.1200000000000001 109.248 173.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' 1917 ' ' LYS . 22.7 mm-40 -62.34 -31.27 71.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.677 -0.692 . . . . 1.22 110.055 174.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' 1919 ' ' ARG . 17.0 mm-40 -56.73 -51.42 68.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.892 -0.595 . . . . 1.49 110.335 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.66 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 14.2 mt -69.9 -25.98 63.95 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 109.389 -0.597 . . . . 1.3700000000000001 109.389 177.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1924 ' ' GLY . . . . . 0.47 ' O ' HD11 ' A' 1835 ' ' ILE . . . -56.11 -31.66 59.16 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.954 -0.641 . . . . 0.64000000000000001 112.361 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -99.09 -39.25 8.6 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.938 -0.305 . . . . 0.85999999999999999 110.527 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.26 -52.73 25.51 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.859 -0.686 . . . . 0.28000000000000003 112.502 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.66 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 92.5 m -64.49 -34.62 78.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.788 0.328 . . . . 1.6599999999999999 110.387 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1928 ' ' SER . . . . . 0.457 ' HB2' ' O ' ' A' 1924 ' ' GLY . 16.4 t -60.51 -49.97 75.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.45 0.643 . . . . 1.5 109.84 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.73 92.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.334 -0.848 . . . . 1.01 110.826 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.725 HD12 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.1 -52.25 65.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.759 -0.655 . . . . 1.0700000000000001 111.004 -179.113 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.941 ' HB ' HG13 ' A' 1824 ' ' VAL . 25.5 m -69.43 -32.85 54.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.425 -0.352 . . . . 1.0800000000000001 111.711 -174.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 12.0 t -79.03 -28.32 43.28 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.726 -0.39 . . . . 1.4099999999999999 110.806 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.45 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 39.2 tptt -75.06 -32.11 61.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.906 -0.405 . . . . 1.6799999999999999 109.906 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.97 69.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.874 -0.603 . . . . 1.03 110.689 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1935 ' ' GLY . . . . . 0.742 ' HA2' HG23 ' A' 1823 ' ' VAL . . . -57.21 -40.86 92.38 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.42999999999999999 112.292 175.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -80.43 -29.81 37.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.723 0.297 . . . . 1.3100000000000001 110.811 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.476 HD11 ' O ' ' A' 1937 ' ' LEU . 2.2 tm? -70.06 -32.77 71.02 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.741 -0.466 . . . . 1.1200000000000001 109.741 -177.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -77.69 -25.3 49.38 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.975 0.417 . . . . 1.46 111.166 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 21.0 t -76.52 -28.88 56.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.246 0.546 . . . . 2.3599999999999999 109.627 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 25.2 m -145.9 77.24 12.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.842 -0.617 . . . . 1.0 109.882 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -65.02 -18.04 60.95 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.956 2.437 . . . . 0.72999999999999998 112.678 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 44.8 t -92.85 -4.76 52.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.731 -0.668 . . . . 1.95 110.573 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -81.12 109.03 15.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.222 0.535 . . . . 1.1599999999999999 110.286 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 60.7 t -66.52 -33.83 66.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.723 -0.671 . . . . 1.96 111.409 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' 1949 ' ' GLU . 75.5 t80 -61.17 -53.04 61.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.523 -0.308 . . . . 2.25 110.715 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 40.8 m -58.19 -44.49 88.08 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.444 -0.343 . . . . 1.1200000000000001 110.868 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.559 ' O ' HG13 ' A' 1951 ' ' ILE . 28.3 ttpp -61.88 -45.05 95.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 1.8500000000000001 110.15 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.464 ' O ' ' HG2' ' A' 1952 ' ' GLU . 32.7 ttpt -60.37 -47.57 85.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 3.1899999999999999 110.603 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' 1945 ' ' TYR . 56.3 mm-40 -57.58 -42.1 82.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 1.53 110.449 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.449 ' HG ' HD21 ' A' 1930 ' ' LEU . 7.8 tt -66.31 -41.58 89.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 1.0900000000000001 110.431 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' 1947 ' ' LYS . 96.7 mt -56.93 -44.59 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 1.1100000000000001 110.1 176.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' 1948 ' ' LYS . 7.0 mm-40 -62.34 -41.02 98.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 2.1099999999999999 110.574 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' 1957 ' ' VAL . 73.0 m -62.17 -46.08 90.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 1.6799999999999999 110.497 176.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.43 94.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 1.0800000000000001 111.336 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' 1951 ' ' ILE . 82.5 mtp180 -56.87 -47.24 80.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 3.7200000000000002 110.483 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.572 ' O ' ' HG2' ' A' 1960 ' ' LYS . 61.7 mtm180 -60.55 -45.94 92.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.729 -0.669 . . . . 3.6299999999999999 110.726 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.639 ' HB ' HG21 ' A' 1868 ' ' VAL . 63.5 t -59.05 -50.57 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 1.0600000000000001 110.873 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 32.6 t -57.77 -35.7 71.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 1.6599999999999999 110.833 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.37 -39.82 67.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 1.8600000000000001 111.099 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' 1956 ' ' ARG . 28.8 mmtp -68.35 -28.14 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.428 -0.351 . . . . 1.4199999999999999 111.173 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.787 HG11 ' HB1' ' A' 1865 ' ' ALA . 58.1 t -54.72 -50.03 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.953 0.406 . . . . 1.0800000000000001 110.643 175.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 46.6 m -60.01 -33.04 71.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.827 -0.624 . . . . 1.54 110.909 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 65.6 m80 -71.32 -35.69 71.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 1.8899999999999999 110.695 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' 1960 ' ' LYS . 59.7 t -66.83 -46.96 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.097 0.475 . . . . 1.1200000000000001 110.095 176.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 65.9 mt -57.99 -48.19 80.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.706 -0.679 . . . . 1.0800000000000001 110.284 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.19 69.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 1.1200000000000001 111.155 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.59 -43.64 93.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.371 -0.377 . . . . 1.0900000000000001 110.895 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.638 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -69.24 -49.64 54.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 1.1000000000000001 110.651 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.04 -26.34 64.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 1.7 111.534 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1970 ' ' ALA . . . . . 0.406 ' HA ' ' HG2' ' A' 1973 ' ' ARG . . . -67.74 -21.66 65.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 1.46 111.53 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -68.3 -31.67 74.73 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.783 -0.722 . . . . 2.0 112.679 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 18.9 m120 -105.11 29.04 6.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.781 0.324 . . . . 5.0099999999999998 111.117 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1973 ' ' ARG . . . . . 0.406 ' HG2' ' HA ' ' A' 1970 ' ' ALA . 24.1 mmm180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.581 -0.723 . . . . 8.1600000000000001 109.596 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.672 -0.571 . . . . 21.93 111.672 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 34.5 pt -100.47 16.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.381 -0.6 . . . . 20.550000000000001 109.381 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -55.53 128.63 68.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 114.859 -1.064 . . . . 19.41 110.84 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1812 ' ' PRO . . . . . 0.41 ' O ' ' HA ' ' A' 1816 ' ' GLU . 97.5 Cg_endo -82.3 114.5 2.48 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.897 2.398 . . . . 18.440000000000001 113.026 -174.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 50.2 p90 -119.7 1.6 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 20.98 110.968 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 2.8 m -70.5 -57.8 4.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.503 0.668 . . . . 16.809999999999999 109.415 177.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -87.34 -29.97 21.17 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.813 -1.085 . . . . 16.420000000000002 108.334 171.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' 1812 ' ' PRO . 36.8 tt0 69.66 102.75 0.06 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 114.25 -1.341 . . . . 14.41 111.878 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -100.06 125.93 46.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.361 -0.836 . . . . 12.27 109.744 175.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -67.55 136.85 55.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.502 . . . . 10.710000000000001 111.606 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 9.2 t -79.96 92.2 5.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.747 -0.66 . . . . 8.9499999999999993 109.298 175.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -85.38 -37.57 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.456 . . . . 7.1900000000000004 110.772 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -142.29 -65.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.954 -0.566 . . . . 5.0 110.929 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 80.98 -43.73 2.89 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 121.042 -0.599 . . . . 4.2199999999999998 111.996 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 28.2 m -88.28 -175.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.944 0.402 . . . . 2.7200000000000002 110.879 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.758 HG12 ' HB ' ' A' 1828 ' ' VAL . 48.4 t -117.97 98.09 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.011 0.434 . . . . 1.9199999999999999 110.839 -176.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -138.84 -7.94 1.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 2.1000000000000001 112.213 177.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -111.98 -48.92 0.65 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.679 -0.772 . . . . 1.3899999999999999 111.875 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.556 ' HB2' HG21 ' A' 1890 ' ' THR . 25.8 ptt? -78.66 -13.29 59.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.743 0.306 . . . . 1.79 111.197 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1828 ' ' VAL . . . . . 0.758 ' HB ' HG12 ' A' 1824 ' ' VAL . 11.7 p -66.31 -28.03 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.264 0.554 . . . . 1.28 109.603 176.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -61.63 -41.38 97.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.538 -0.756 . . . . 0.87 110.23 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 42.4 m -60.36 -37.38 80.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.654 . . . . 1.3500000000000001 111.17 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 54.9 mt -66.2 -47.17 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.943 0.401 . . . . 1.0900000000000001 110.443 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 14.8 m -62.23 -43.36 98.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.94 -0.573 . . . . 1.1399999999999999 110.874 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.37 -27.9 65.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.418 -0.356 . . . . 3.02 111.039 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.537 ' HB2' ' HE2' ' A' 1893 ' ' TYR . . . -67.55 -28.99 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.997 0.427 . . . . 1.0600000000000001 110.702 176.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 54.5 mt -70.88 -48.8 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.421 -0.585 . . . . 1.1899999999999999 109.421 171.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1836 ' ' ASN . . . . . 0.44 ' O ' ' HG3' ' A' 1840 ' ' GLU . 30.2 m-80 -59.58 -45.0 93.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.339 -0.846 . . . . 0.80000000000000004 111.686 -178.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -59.23 -34.53 72.32 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.583 0.23 . . . . 1.0 111.29 -176.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.458 HD22 ' HB2' ' A' 1900 ' ' ALA . 35.6 mt -76.4 -35.87 58.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.155 0.502 . . . . 1.25 110.733 178.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -72.98 -41.7 64.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.351 -0.84 . . . . 1.79 110.788 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1840 ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' 1836 ' ' ASN . 43.5 mt-10 -64.23 -46.45 83.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 3.25 111.481 -177.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -175.26 166.05 37.37 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.558 -0.829 . . . . 2.2799999999999998 112.57 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -88.08 -168.54 0.38 Allowed 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.997 2.465 . . . . 3.0899999999999999 112.035 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1843 ' ' MET . . . . . 0.539 ' SD ' ' HG3' ' A' 1902 ' ' PRO . 26.9 ttt -122.09 112.26 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.351 -0.611 . . . . 5.5099999999999998 109.351 177.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -83.03 155.8 33.46 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.854 -0.688 . . . . 2.1499999999999999 112.774 -174.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 31.1 t70 52.68 73.12 1.0 Allowed Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 123.248 0.619 . . . . 3.0800000000000001 110.888 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.46 139.92 79.13 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.633 2.222 . . . . 1.3 112.232 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.86 -30.91 61.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.189 0.519 . . . . 2.8199999999999998 109.757 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -105.3 -176.43 24.28 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.379 -0.688 . . . . 1.21 111.379 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 5.8 p -105.46 167.02 10.02 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 110.193 -0.299 . . . . 1.9399999999999999 110.193 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.51 ' HE1' HD11 ' A' 1916 ' ' ILE . 73.2 t80 -54.37 -42.16 70.01 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.138 0.273 . . . . 0.89000000000000001 110.731 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.5 p -63.13 -37.83 80.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.788 0.328 . . . . 1.3400000000000001 111.116 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.78 -51.16 52.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.433 -0.348 . . . . 1.71 110.253 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -61.28 -43.49 98.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.4299999999999999 110.798 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.642 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 47.9 tt0 -54.98 -56.95 14.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 1.21 111.074 178.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 26.2 m -61.37 -33.54 73.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.825 -0.625 . . . . 2.1099999999999999 111.07 -177.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 29.7 m -71.54 -47.1 57.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.289 -0.414 . . . . 1.1899999999999999 110.674 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 85.7 mtp -65.85 -42.32 90.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 1.1000000000000001 112.132 -175.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.679 ' O ' ' HG3' ' A' 1862 ' ' LYS . 25.6 m -64.2 -31.06 51.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.191 -0.604 . . . . 1.0700000000000001 110.85 -178.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -70.22 -48.49 56.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.921 0.391 . . . . 3.6299999999999999 110.529 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 15.5 m -63.46 -33.17 74.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.911 -0.586 . . . . 1.1100000000000001 110.913 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.96 -39.73 94.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 1.0900000000000001 110.739 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.679 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.3 mttt -64.66 -34.99 79.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.021 0.439 . . . . 1.8799999999999999 110.029 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.26 -44.85 90.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.757 -0.656 . . . . 1.1499999999999999 111.213 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.715 HD12 HG23 ' A' 1961 ' ' VAL . 1.4 pp -73.59 -28.2 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.41 -0.516 . . . . 1.0800000000000001 109.86 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.806 ' HB2' HG13 ' A' 1961 ' ' VAL . . . -71.15 -42.56 68.99 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.286 -0.415 . . . . 0.98999999999999999 111.473 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.417 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.7 p -69.8 -23.65 25.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.297 0.57 . . . . 1.45 110.027 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 91.9 m -74.92 -47.86 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.786 -0.643 . . . . 1.0600000000000001 110.899 174.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.875 HG23 ' HB ' ' A' 1957 ' ' VAL . 5.3 p -66.95 -36.36 76.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.6 0.238 . . . . 1.05 110.905 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -68.07 -26.71 65.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.28 0.562 . . . . 0.91000000000000003 109.577 176.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.433 ' HG3' ' HG2' ' A' 1874 ' ' LYS . 7.7 tp10 -77.3 -31.99 55.09 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.11 -0.496 . . . . 0.56999999999999995 110.085 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.508 ' SD ' HD23 ' A' 1882 ' ' LEU . 7.0 mmt -52.48 -56.13 17.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.126 -0.488 . . . . 1.25 111.86 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.413 HG21 HG21 ' A' 1951 ' ' ILE . 3.4 p -55.95 -42.41 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.343 0.592 . . . . 1.27 111.082 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 52.4 m -73.62 -40.75 63.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.305 -0.861 . . . . 1.1499999999999999 111.49 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.834 ' HE3' ' HA ' ' A' 1874 ' ' LYS . 0.0 OUTLIER -73.57 -31.78 63.79 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.626 -0.261 . . . . 1.97 111.682 -178.295 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.613 ' HB3' ' HG3' ' A' 1947 ' ' LYS . 43.1 m -60.01 -30.15 68.96 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.556 0.693 . . . . 1.74 110.138 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -81.86 -32.94 30.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.132 -0.94 . . . . 0.76000000000000001 112.16 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 4.5 p -109.21 -37.12 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.234 0.828 . . . . 1.71 113.234 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 75.2 m -150.08 82.49 6.46 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.412 -0.358 . . . . 1.4299999999999999 110.479 -171.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.58 -20.35 69.24 Favored 'Trans proline' 0 C--N 1.34 0.095 0 C-N-CA 122.569 2.18 . . . . 1.02 112.445 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -75.76 -13.86 60.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.057 -0.52 . . . . 2.2400000000000002 110.962 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' 1885 ' ' LEU . 6.3 mm-40 -80.86 -16.96 52.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.8899999999999999 111.273 178.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.543 HD12 HD12 ' A' 1937 ' ' LEU . 94.6 mt -65.74 -35.5 80.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.261 -0.427 . . . . 1.1399999999999999 111.814 -174.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -63.14 -55.33 26.9 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.6 -0.809 . . . . 0.42999999999999999 112.479 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.61 -36.1 79.67 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.871 2.38 . . . . 1.0 112.901 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.552 HD12 ' HG3' ' A' 1874 ' ' LYS . 83.8 mt -73.23 -43.64 60.85 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.591 -0.277 . . . . 1.0700000000000001 110.639 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.05 -32.62 66.4 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.682 -0.488 . . . . 1.1000000000000001 109.682 174.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.88 -48.95 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.514 -0.766 . . . . 1.4299999999999999 110.748 178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -68.49 -41.72 79.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.482 -0.326 . . . . 1.0700000000000001 110.85 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.509 HD11 ' HB ' ' A' 1864 ' ' ILE . 54.7 tp -58.95 -31.12 68.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.17 0.51 . . . . 1.05 109.99 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1890 ' ' THR . . . . . 0.556 HG21 ' HB2' ' A' 1827 ' ' MET . 47.7 m -78.6 -49.33 13.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.521 -0.763 . . . . 1.0800000000000001 111.469 178.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 31.8 p -65.81 -50.65 63.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.384 -0.371 . . . . 1.72 111.785 -173.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.87 -33.74 76.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.171 -0.468 . . . . 0.80000000000000004 111.372 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1893 ' ' TYR . . . . . 0.537 ' HE2' ' HB2' ' A' 1834 ' ' ALA . 67.2 t80 -61.15 -40.83 95.3 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.935 -0.306 . . . . 1.05 110.486 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.89 -38.12 64.1 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.06 -0.59 . . . . 0.34000000000000002 112.045 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -63.96 -52.61 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.516 -0.55 . . . . 3.48 109.516 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1896 ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.86 -51.51 56.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.52 -0.764 . . . . 1.45 111.45 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1897 ' ' ALA . . . . . 0.585 ' HA ' HG12 ' A' 1920 ' ' VAL . . . -62.0 -40.55 96.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.827 -0.624 . . . . 1.1499999999999999 112.046 -176.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 70.8 m -75.19 -32.84 61.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.744 0.276 . . . . 1.8899999999999999 111.744 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.546 ' O ' ' HD2' ' A' 1902 ' ' PRO . 16.3 mt-30 -77.68 -24.68 49.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.666 0.269 . . . . 1.5600000000000001 111.667 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1900 ' ' ALA . . . . . 0.458 ' HB2' HD22 ' A' 1838 ' ' LEU . . . -69.7 -28.59 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 1.0700000000000001 111.559 -178.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.675 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 58.1 mtpt -61.61 -53.04 65.09 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.21 0.448 . . . . 2.8500000000000001 112.21 -178.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.675 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 12.9 Cg_exo -70.29 -32.94 15.48 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 121.953 1.768 . . . . 0.87 112.123 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.15 79.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.404 -0.362 . . . . 1.0700000000000001 111.12 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.83 92.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.025 -0.534 . . . . 1.0800000000000001 111.049 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 44.3 t -75.5 -32.97 26.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.944 -0.571 . . . . 1.9199999999999999 111.029 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -65.3 -31.17 72.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 1.1699999999999999 111.362 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -65.78 153.9 40.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 1.23 111.139 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -69.02 -30.97 69.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 2.6699999999999999 112.145 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.656 ' HB3' ' CG1' ' A' 1912 ' ' ILE . 43.6 t-20 -125.38 138.88 54.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.296 -0.411 . . . . 2.4900000000000002 110.036 -173.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -51.39 -44.36 62.17 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.684 -0.689 . . . . 2.2400000000000002 111.497 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.4 -38.88 88.48 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.046 0.451 . . . . 2.4900000000000002 110.868 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.972 ' HA ' ' HB2' ' A' 1972 ' ' ASN . 15.8 mm -58.28 -40.22 76.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.69 -0.686 . . . . 1.3899999999999999 109.539 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -77.12 -35.77 37.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.02 -0.61 . . . . 0.57999999999999996 112.248 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.81 85.87 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.562 0.696 . . . . 1.22 110.352 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.659 ' O ' ' HG2' ' A' 1919 ' ' ARG . 26.0 t-80 -63.06 -38.2 90.25 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.871 -1.059 . . . . 2.1800000000000002 110.377 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.51 HD11 ' HE1' ' A' 1850 ' ' PHE . 95.9 mt -65.23 -54.24 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 1.1299999999999999 110.925 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -65.02 -34.52 78.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 1.8100000000000001 111.232 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1918 ' ' HIS . . . . . 0.427 ' O ' ' HG2' ' A' 1922 ' ' GLU . 17.9 t-80 -69.97 -28.64 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 2.52 110.775 -176.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.691 ' HB3' HG21 ' A' 1964 ' ' VAL . 12.8 mmm180 -63.43 -40.55 97.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 3.1499999999999999 111.166 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' 1897 ' ' ALA . 24.6 t -71.43 -28.21 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.214 -0.448 . . . . 1.1200000000000001 110.46 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' A' 1838 ' ' LEU . 21.2 mm-40 -61.06 -40.35 93.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.206 0.527 . . . . 1.22 109.903 175.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.502 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 16.2 mm-40 -61.67 -42.61 99.15 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.307 -0.861 . . . . 1.49 109.943 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' 1923 ' ' LEU . 18.2 mt -64.43 -43.71 93.49 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.25 -0.886 . . . . 1.3700000000000001 111.148 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.85 -44.46 55.49 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.182 -0.532 . . . . 0.64000000000000001 112.979 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -65.79 -43.13 89.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.771 0.319 . . . . 0.85999999999999999 110.64 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -71.45 -53.51 10.07 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.884 -0.674 . . . . 0.28000000000000003 112.449 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 71.5 m -55.61 -43.41 76.07 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.311 0.244 . . . . 1.6599999999999999 111.146 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 16.5 t -59.78 -49.81 76.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.739 0.304 . . . . 1.5 110.505 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.1 93.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 1.01 110.992 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.607 HD12 HG22 ' A' 1957 ' ' VAL . 0.4 OUTLIER -64.7 -53.34 48.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.021 -0.536 . . . . 1.0700000000000001 110.667 -178.012 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 29.8 m -63.85 -35.19 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 1.0800000000000001 110.632 -178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 96.5 m -65.14 -38.4 90.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.041 -0.527 . . . . 1.4099999999999999 110.778 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.473 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.0 tptt -74.21 -37.84 63.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.12 -0.491 . . . . 1.6799999999999999 110.269 -178.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1934 ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' 1882 ' ' LEU . . . -58.81 -40.21 83.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.877 -0.601 . . . . 1.03 111.107 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.53 -38.92 94.32 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.725 -0.75 . . . . 0.42999999999999999 111.918 177.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -76.37 -32.81 58.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.698 0.285 . . . . 1.3100000000000001 111.021 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.543 HD12 HD12 ' A' 1882 ' ' LEU . 2.9 tm? -68.54 -35.95 78.14 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.591 -0.522 . . . . 1.1200000000000001 109.591 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -67.52 -26.07 66.15 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.773 -0.371 . . . . 1.46 110.984 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.9 m -76.72 -18.66 58.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.309 -0.405 . . . . 2.3599999999999999 110.765 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 47.3 m -150.46 69.49 8.78 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.721 -0.474 . . . . 1.0 109.721 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.402 ' HA ' HD13 ' A' 1937 ' ' LEU . 30.3 Cg_endo -64.28 -15.5 49.93 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.725 2.283 . . . . 0.72999999999999998 112.465 -173.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 35.7 t -90.23 -10.77 43.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.585 -0.734 . . . . 1.95 110.92 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 34.2 t70 -83.89 105.53 14.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.435 0.636 . . . . 1.1599999999999999 110.744 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 4.9 m -65.87 -30.09 48.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.018 -0.992 . . . . 1.96 112.257 -177.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.34 -49.44 73.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.535 0.207 . . . . 2.25 110.905 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 29.2 m -59.69 -43.14 94.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.951 0.405 . . . . 1.1200000000000001 110.407 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.613 ' HG3' ' HB3' ' A' 1875 ' ' SER . 38.9 ttpt -63.8 -41.85 97.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.575 . . . . 1.8500000000000001 110.702 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' 1952 ' ' GLU . 43.8 tttm -50.91 -53.09 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 3.1899999999999999 110.821 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.473 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 42.8 mt-10 -63.4 -34.92 78.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.73 -0.668 . . . . 1.53 111.129 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.4 ' HG ' HD22 ' A' 1930 ' ' LEU . 10.0 tt -69.34 -40.19 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.179 -0.304 . . . . 1.0900000000000001 110.179 178.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.413 HG21 HG21 ' A' 1872 ' ' VAL . 96.1 mt -55.95 -43.26 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.318 0.58 . . . . 1.1100000000000001 109.721 174.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' 1956 ' ' ARG . 40.8 mt-10 -67.74 -40.31 84.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 2.1099999999999999 110.755 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.527 ' O ' HG21 ' A' 1957 ' ' VAL . 72.9 m -59.28 -41.74 89.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.725 0.297 . . . . 1.6799999999999999 110.307 175.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.17 86.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 1.0800000000000001 110.77 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.603 ' O ' ' HG3' ' A' 1959 ' ' GLU . 96.5 mtt180 -59.98 -51.91 67.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.296 -0.411 . . . . 3.7200000000000002 110.129 175.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.553 ' O ' ' HG2' ' A' 1960 ' ' LYS . 94.5 mtt180 -59.63 -34.95 73.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.598 -0.728 . . . . 3.6299999999999999 111.842 -174.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.875 ' HB ' HG23 ' A' 1868 ' ' VAL . 54.1 t -70.72 -50.53 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.269 -0.271 . . . . 1.0600000000000001 110.269 177.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 17.7 m -57.31 -38.29 73.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 1.6599999999999999 111.361 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' 1955 ' ' ARG . 51.2 mt-10 -60.67 -31.81 71.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.268 0.556 . . . . 1.8600000000000001 110.766 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.631 ' O ' HG22 ' A' 1964 ' ' VAL . 30.2 mmtp -81.52 -38.04 26.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.246 -0.434 . . . . 1.4199999999999999 110.903 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.806 HG13 ' HB2' ' A' 1865 ' ' ALA . 37.3 t -54.69 -50.45 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.305 0.378 . . . . 1.0800000000000001 111.562 -176.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 15.6 m -59.36 -36.74 76.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.745 0.307 . . . . 1.54 110.944 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 36.6 m80 -70.35 -32.6 70.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.497 -0.32 . . . . 1.8899999999999999 111.055 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.691 HG21 ' HB3' ' A' 1919 ' ' ARG . 59.7 t -69.87 -45.88 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 1.1200000000000001 110.039 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.42 HD23 ' HB2' ' A' 1861 ' ' ALA . 70.0 mt -58.22 -47.03 84.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.57 -0.741 . . . . 1.0800000000000001 111.067 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -58.91 -37.21 76.12 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 1.1200000000000001 111.738 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -52.45 -55.62 20.64 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.951 -0.568 . . . . 1.0900000000000001 111.033 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.642 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -51.46 -35.99 42.18 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.482 0.919 . . . . 1.1000000000000001 113.482 -171.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.88 -21.34 57.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.694 0.283 . . . . 1.7 111.753 -176.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1970 ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' 1973 ' ' ARG . . . -134.9 -1.37 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.358 -0.383 . . . . 1.46 110.824 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1971 ' ' GLY . . . . . 0.427 ' HA3' ' CG2' ' A' 1912 ' ' ILE . . . 70.03 -66.77 0.68 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.306 -1.118 . . . . 2.0 110.306 -163.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1972 ' ' ASN . . . . . 0.972 ' HB2' ' HA ' ' A' 1912 ' ' ILE . 0.2 OUTLIER -106.81 95.8 5.99 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.105 -0.702 . . . . 5.0099999999999998 109.105 173.42 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1973 ' ' ARG . . . . . 0.513 ' HB2' ' HB1' ' A' 1970 ' ' ALA . 75.2 ttt180 . . . . . 0 C--N 1.318 -0.769 0 CA-C-O 118.701 -0.666 . . . . 8.1600000000000001 109.725 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.805 -0.518 . . . . 21.93 111.805 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 45.5 mm 62.24 91.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.37 0.605 . . . . 20.550000000000001 110.422 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1811 ' ' ASP . . . . . 0.528 ' HB2' ' HB ' ' A' 1814 ' ' THR . 16.7 m-20 -97.97 149.57 35.86 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.831 -0.622 . . . . 19.41 111.085 -174.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1812 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 1811 ' ' ASP . 10.3 Cg_exo -71.96 -16.16 29.21 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.93 2.42 . . . . 18.440000000000001 111.32 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 86.6 t80 -160.61 101.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.387 -0.824 . . . . 20.98 109.45 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1814 ' ' THR . . . . . 0.528 ' HB ' ' HB2' ' A' 1811 ' ' ASP . 7.3 t -127.77 108.52 10.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.333 0.587 . . . . 16.809999999999999 110.486 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 11.8 t30 68.7 -67.94 0.19 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.134 -0.939 . . . . 16.420000000000002 112.158 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -118.46 -54.99 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.908 0.385 . . . . 14.41 111.236 -175.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -138.66 -163.86 1.54 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.303 -0.408 . . . . 12.27 110.846 -176.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -96.58 -49.98 4.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.13 0.491 . . . . 10.710000000000001 109.95 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 17.1 m -143.46 177.6 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.604 -0.725 . . . . 8.9499999999999993 110.014 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -91.79 -42.07 10.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.476 0.655 . . . . 7.1900000000000004 109.298 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -129.38 105.27 8.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.259 -0.882 . . . . 5.0 109.837 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -74.64 60.29 2.48 Favored Glycine 0 N--CA 1.453 -0.226 0 CA-C-N 116.099 -0.501 . . . . 4.2199999999999998 112.758 -178.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1823 ' ' VAL . . . . . 0.582 HG12 ' HA3' ' A' 1935 ' ' GLY . 4.1 p -176.71 -47.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 122.993 0.517 . . . . 2.7200000000000002 109.777 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.81 HG12 ' HB ' ' A' 1828 ' ' VAL . 59.2 t -133.05 86.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.041 -0.527 . . . . 1.9199999999999999 109.705 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -128.59 -41.61 0.26 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.831 -0.7 . . . . 2.1000000000000001 111.599 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -78.11 -46.11 9.59 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.778 -0.725 . . . . 1.3899999999999999 112.516 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.75 ' HE3' HG21 ' A' 1824 ' ' VAL . 24.7 ptt? -79.2 -18.91 52.1 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.651 -0.419 . . . . 1.79 111.541 -175.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1828 ' ' VAL . . . . . 0.81 ' HB ' HG12 ' A' 1824 ' ' VAL . 8.3 p -71.28 -23.89 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.254 0.549 . . . . 1.28 109.797 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.96 -32.62 74.43 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.728 -0.669 . . . . 0.87 109.888 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 68.5 m -64.26 -37.26 86.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.807 -0.633 . . . . 1.3500000000000001 110.693 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.55 ' O ' HG13 ' A' 1835 ' ' ILE . 54.5 mt -70.39 -46.28 71.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.391 -0.368 . . . . 1.0900000000000001 110.132 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 25.5 m -58.99 -40.42 84.77 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.185 -0.461 . . . . 1.1399999999999999 110.47 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 25.7 tm0? -60.83 -47.42 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.83 -0.623 . . . . 3.02 110.003 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1834 ' ' ALA . . . . . . . . . . . . . . . -60.57 -32.71 71.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.69 -0.686 . . . . 1.0600000000000001 111.663 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1835 ' ' ILE . . . . . 0.751 ' HA ' ' NE2' ' A' 1921 ' ' GLN . 61.7 mt -65.49 -43.53 94.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.958 0.409 . . . . 1.1899999999999999 110.747 178.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -78.09 -43.58 28.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.33 0.493 . . . . 0.80000000000000004 112.33 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -54.52 -38.01 66.04 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.114 0.783 . . . . 1.0 113.114 -170.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.6 HD13 ' CD ' ' A' 1921 ' ' GLN . 86.5 mt -68.31 -37.82 80.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 1.25 111.802 -172.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.1 -37.34 16.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.405 -0.361 . . . . 1.79 110.758 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.58 -70.37 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.168 -0.469 . . . . 3.25 111.328 -176.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -135.98 82.27 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.507 -0.854 . . . . 2.2799999999999998 112.839 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.85 123.25 4.6 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.435 2.09 . . . . 3.0899999999999999 111.657 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 16.1 tpt -56.83 110.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 5.5099999999999998 110.697 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1844 ' ' GLY . . . . . 0.905 ' HA2' HG23 ' A' 1905 ' ' VAL . . . -91.95 40.51 2.9 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.141 -0.552 . . . . 2.1499999999999999 113.473 -175.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -129.94 84.05 61.88 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 121.061 0.458 . . . . 3.0800000000000001 109.893 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.81 141.28 36.96 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.546 2.164 . . . . 1.3 112.456 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.685 ' H ' ' HH ' ' A' 1853 ' ' TYR . 36.0 mt-10 -108.04 22.13 16.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.335 0.588 . . . . 2.8199999999999998 109.903 177.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -152.8 153.25 24.74 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.59 -0.732 . . . . 1.21 111.715 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 5.6 p -80.87 44.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.07 0.396 . . . . 1.9399999999999999 112.07 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 85.5 t80 70.29 -57.38 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.586 0.754 . . . . 0.89000000000000001 111.042 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 9.9 p -58.0 -34.04 47.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.889 0.376 . . . . 1.3400000000000001 110.909 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.07 -50.48 73.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.974 -0.557 . . . . 1.71 110.763 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.685 ' HH ' ' H ' ' A' 1847 ' ' GLU . 61.2 m-85 -73.47 -32.71 64.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.335 -0.393 . . . . 1.4299999999999999 110.693 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.6 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 56.9 tt0 -54.09 -53.26 55.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.081 -0.509 . . . . 1.21 111.226 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 11.5 t -68.34 -30.88 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.86 0.362 . . . . 2.1099999999999999 110.964 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 17.8 m -69.88 -41.79 74.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.061 0.458 . . . . 1.1899999999999999 110.716 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 73.3 mtp -68.59 -47.13 67.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 1.1000000000000001 111.489 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.65 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -59.69 -36.99 68.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.468 -0.493 . . . . 1.0700000000000001 110.968 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' 1859 ' ' ARG . 48.1 mtm105 -65.35 -45.99 81.95 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.713 0.292 . . . . 3.6299999999999999 110.767 178.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.64 ' HB ' HD21 ' A' 1896 ' ' LEU . 10.0 m -69.83 -33.63 72.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 1.1100000000000001 110.947 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.541 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.92 -45.79 90.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 1.0900000000000001 110.415 176.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.65 ' HG3' ' O ' ' A' 1858 ' ' VAL . 58.0 mttm -61.37 -32.99 72.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 1.8799999999999999 110.46 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.16 -36.47 84.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 1.1499999999999999 111.398 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.679 HD13 HG22 ' A' 1961 ' ' VAL . 1.4 pp -79.76 -27.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.469 -0.493 . . . . 1.0800000000000001 109.928 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.814 ' HB1' HG13 ' A' 1961 ' ' VAL . . . -70.11 -40.78 74.71 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 116.115 -0.493 . . . . 0.98999999999999999 111.286 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.401 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.9 p -67.73 -28.5 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.989 0.423 . . . . 1.45 110.009 176.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.588 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.9 m -69.79 -52.42 25.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 1.0600000000000001 110.807 175.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.615 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.5 p -63.72 -36.45 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.609 0.243 . . . . 1.05 110.951 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -67.96 -26.21 65.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.144 0.497 . . . . 0.91000000000000003 109.877 177.236 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' 1869 ' ' GLN . 8.1 tp10 -76.98 -38.48 53.09 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.564 -0.532 . . . . 0.56999999999999995 109.564 176.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' 1867 ' ' THR . 82.1 mtp -62.16 -43.04 99.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 1.25 110.95 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 13.9 p -63.24 -39.08 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 1.27 110.455 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 26.1 m -71.37 -48.97 46.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.743 -0.662 . . . . 1.1499999999999999 110.999 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.829 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 7.4 mmpt? -65.75 -29.08 69.54 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.233 -0.439 . . . . 1.97 111.699 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 27.8 t -61.54 -24.65 66.77 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.637 -0.425 . . . . 1.74 110.78 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -78.24 -38.95 41.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.76000000000000001 111.429 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 17.1 p -108.19 -40.11 5.28 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.107 0.78 . . . . 1.71 113.107 -172.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 64.4 m -138.84 85.57 16.38 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.373 -0.376 . . . . 1.4299999999999999 111.291 -170.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.87 -20.82 72.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.44 2.093 . . . . 1.02 112.064 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.84 -20.29 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 2.2400000000000002 111.229 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' 1885 ' ' LEU . 16.4 mm-40 -80.87 -15.5 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.561 -0.29 . . . . 1.8899999999999999 111.4 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.658 ' HB3' ' HB2' ' A' 1934 ' ' ALA . 85.7 mt -65.31 -38.11 89.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.456 -0.338 . . . . 1.1399999999999999 111.747 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.69 -54.72 31.69 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.855 -0.688 . . . . 0.42999999999999999 113.018 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.08 -40.13 87.42 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.703 2.269 . . . . 1.0 112.836 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.8 mt -72.64 -40.23 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.698 -0.228 . . . . 1.0700000000000001 110.913 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.79 70.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.215 0.531 . . . . 1.1000000000000001 110.177 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -69.72 -40.06 76.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 1.4299999999999999 110.616 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -71.04 -41.76 70.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.612 -0.722 . . . . 1.0700000000000001 110.795 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 52.6 tp -58.63 -39.42 80.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 1.05 109.732 175.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 51.6 m -65.75 -50.01 66.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.365 -0.834 . . . . 1.0800000000000001 111.609 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 76.2 p -66.45 -49.6 66.16 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.82 0.343 . . . . 1.72 110.944 -173.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.524 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.1 m-20 -60.02 -37.91 81.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.825 -0.625 . . . . 0.80000000000000004 111.351 177.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1893 ' ' TYR . . . . . 0.641 ' HH ' ' CA ' ' A' 1924 ' ' GLY . 74.8 t80 -61.62 -47.57 84.85 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.033 -0.267 . . . . 1.05 110.697 177.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.46 -38.76 81.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.859 -0.686 . . . . 0.34000000000000002 111.898 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' 1899 ' ' GLN . 76.9 mtp180 -66.83 -50.15 63.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.02 0.438 . . . . 3.48 110.409 177.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.64 HD21 ' HB ' ' A' 1860 ' ' THR . 1.7 tm? -60.77 -38.61 85.85 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.558 -0.746 . . . . 1.45 110.707 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -66.4 -32.7 74.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 1.1499999999999999 111.286 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 51.9 m -67.52 -34.87 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 1.8899999999999999 110.792 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' 1895 ' ' ARG . 66.8 mt-30 -72.83 -24.84 60.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 1.5600000000000001 111.092 -175.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.51 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 1.0700000000000001 112.031 -176.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.434 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 55.5 mtmt -66.51 -59.11 8.75 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.622 -0.263 . . . . 2.8500000000000001 111.707 -177.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.434 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 35.5 Cg_endo -66.37 -29.58 45.66 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.657 1.571 . . . . 0.87 112.204 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.73 -45.94 87.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.88 0.371 . . . . 1.0700000000000001 110.574 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.87 -38.45 82.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.701 -0.681 . . . . 1.0800000000000001 111.476 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.905 HG23 ' HA2' ' A' 1844 ' ' GLY . 43.8 t -75.73 -36.42 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.941 -0.572 . . . . 1.9199999999999999 111.137 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -72.3 -17.43 61.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 1.1699999999999999 112.019 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.83 166.63 15.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 1.23 110.976 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -39.06 13.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.462 -0.336 . . . . 2.6699999999999999 111.269 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.429 ' HB3' HG12 ' A' 1912 ' ' ILE . 10.9 t30 -110.12 132.84 53.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.149 -0.315 . . . . 2.4900000000000002 110.149 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.93 -41.52 87.52 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.275 -0.421 . . . . 2.2400000000000002 112.018 -174.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.41 -22.47 66.2 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.634 0.254 . . . . 2.4900000000000002 111.158 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.429 HG12 ' HB3' ' A' 1909 ' ' ASN . 37.9 mm -73.65 -47.79 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.451 -0.574 . . . . 1.3899999999999999 109.451 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -63.4 -39.96 98.34 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.782 -0.723 . . . . 0.57999999999999996 111.646 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.5 87.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.037 0.446 . . . . 1.22 110.357 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.8 t-160 -64.44 -43.23 94.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.874 -0.603 . . . . 2.1800000000000002 110.175 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 83.7 mt -57.91 -55.08 23.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 1.1299999999999999 111.169 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' 1921 ' ' GLN . 20.0 ptpt -65.36 -39.4 92.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 1.8100000000000001 111.405 -175.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 62.4 m170 -71.82 -29.49 64.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.887 0.329 . . . . 2.52 111.887 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.604 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 2.4 mmp_? -70.09 -31.62 69.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.715 -0.394 . . . . 3.1499999999999999 110.601 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 80.8 t -64.75 -32.92 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.241 0.543 . . . . 1.1200000000000001 110.345 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.751 ' NE2' ' HA ' ' A' 1835 ' ' ILE . 4.5 mm100 -70.57 -22.28 62.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.744 -0.662 . . . . 1.22 111.19 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.672 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 17.5 mm-40 -55.63 -37.72 68.56 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.135 -0.691 . . . . 1.49 109.135 169.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.702 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.9 mt -77.98 -34.96 50.64 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.839 -0.619 . . . . 1.3700000000000001 109.531 174.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1924 ' ' GLY . . . . . 0.641 ' CA ' ' HH ' ' A' 1893 ' ' TYR . . . -51.24 -34.47 32.85 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.498 -0.858 . . . . 0.64000000000000001 112.078 174.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -85.18 -55.2 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.678 -0.307 . . . . 0.85999999999999999 110.521 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -65.07 -49.62 61.41 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.26 -0.495 . . . . 0.28000000000000003 113.698 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.702 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 89.5 m -64.49 -39.31 93.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.855 0.327 . . . . 1.6599999999999999 110.806 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1928 ' ' SER . . . . . 0.5 ' HB2' HG22 ' A' 1831 ' ' ILE . 7.8 t -60.7 -43.63 97.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.22 0.533 . . . . 1.5 109.79 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.61 -43.25 80.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.509 -0.768 . . . . 1.01 110.743 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.561 HD12 HG23 ' A' 1868 ' ' VAL . 0.3 OUTLIER -58.58 -52.95 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 1.0700000000000001 110.857 -178.523 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 18.4 m -64.38 -33.87 65.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 1.0800000000000001 110.936 -177.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.3 m -68.99 -44.43 72.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.04 -0.527 . . . . 1.4099999999999999 110.254 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.615 ' HE3' HG23 ' A' 1946 ' ' THR . 41.1 tptt -65.59 -39.84 92.04 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.816 -0.629 . . . . 1.6799999999999999 110.654 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1934 ' ' ALA . . . . . 0.658 ' HB2' ' HB3' ' A' 1882 ' ' LEU . . . -60.9 -43.41 98.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 1.03 110.987 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1935 ' ' GLY . . . . . 0.582 ' HA3' HG12 ' A' 1823 ' ' VAL . . . -61.35 -43.28 99.56 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.625 -0.798 . . . . 0.42999999999999999 111.82 177.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.52 63.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.361 . . . . 1.3100000000000001 111.013 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.596 HD13 HD12 ' A' 1882 ' ' LEU . 3.2 tm? -74.19 -40.57 62.41 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 109.715 -0.476 . . . . 1.1200000000000001 109.715 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.404 ' O ' ' HD3' ' A' 1941 ' ' PRO . 22.3 mt-30 -65.02 -25.87 68.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.823 0.344 . . . . 1.46 111.147 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.7 m -70.11 -27.97 65.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.17 -0.468 . . . . 2.3599999999999999 110.539 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 67.7 m -144.53 69.62 15.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1941 ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' 1938 ' ' GLN . 49.6 Cg_endo -68.38 -4.08 12.18 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.939 2.426 . . . . 0.72999999999999998 112.675 -173.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 42.6 t -93.38 -13.37 28.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.885 -0.598 . . . . 1.95 110.399 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.81 115.2 21.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.128 0.49 . . . . 1.1599999999999999 110.574 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 45.0 t -75.79 -29.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.837 -0.619 . . . . 1.96 110.87 -176.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.524 ' O ' ' HG3' ' A' 1949 ' ' GLU . 38.3 t80 -60.63 -52.77 63.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 2.25 110.28 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.615 HG23 ' HE3' ' A' 1933 ' ' LYS . 32.8 m -60.27 -40.29 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 1.1200000000000001 110.849 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -62.72 -46.26 88.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 1.8500000000000001 110.677 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -58.1 -44.23 87.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 3.1899999999999999 110.409 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' 1945 ' ' TYR . 44.0 mt-10 -59.73 -37.85 80.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.716 -0.674 . . . . 1.53 111.153 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.58 -40.66 69.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.625 -0.262 . . . . 1.0900000000000001 110.942 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1951 ' ' ILE . . . . . . . . . . . . . 80.5 mt -55.41 -45.12 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 1.1100000000000001 111.055 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' 1956 ' ' ARG . 8.6 pt-20 -72.88 -36.1 67.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.637 -0.256 . . . . 2.1099999999999999 110.916 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.5 ' O ' HG21 ' A' 1957 ' ' VAL . 87.4 m -60.25 -42.76 95.98 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.619 0.247 . . . . 1.6799999999999999 110.51 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.94 95.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 1.0800000000000001 110.966 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' 1959 ' ' GLU . 78.1 mtt180 -60.39 -46.13 91.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 3.7200000000000002 110.425 176.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' 1952 ' ' GLU . 50.7 mtp180 -59.77 -44.56 93.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.694 -0.685 . . . . 3.6299999999999999 111.37 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.615 ' HB ' HG21 ' A' 1868 ' ' VAL . 85.7 t -62.38 -44.05 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 1.0600000000000001 110.766 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 37.9 m -57.4 -35.78 70.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 1.6599999999999999 111.212 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.8 mt-10 -70.5 -31.26 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.312 0.577 . . . . 1.8600000000000001 110.683 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.672 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.2 mmtt -71.33 -37.66 71.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.01 -0.541 . . . . 1.4199999999999999 110.676 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.814 HG13 ' HB1' ' A' 1865 ' ' ALA . 21.7 t -55.99 -42.23 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 O-C-N 123.411 0.445 . . . . 1.0800000000000001 110.854 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 12.1 m -57.95 -37.61 74.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 1.54 110.965 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 76.1 m80 -77.25 -30.71 54.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.563 . . . . 1.8899999999999999 110.782 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' 1960 ' ' LYS . 60.9 t -66.24 -49.02 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.115 0.483 . . . . 1.1200000000000001 109.794 175.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 61.3 mt -57.68 -48.82 78.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.457 -0.792 . . . . 1.0800000000000001 110.765 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.2 68.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.876 -0.602 . . . . 1.1200000000000001 111.704 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1967 ' ' ALA . . . . . 0.527 ' HB1' ' HG3' ' A' 1919 ' ' ARG . . . -62.54 -30.82 71.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.474 -0.33 . . . . 1.0900000000000001 111.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.6 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -70.4 -51.14 31.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 1.1000000000000001 110.749 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1969 ' ' GLN . . . . . 0.461 ' HG2' ' HD2' ' A' 1973 ' ' ARG . 16.2 mp0 -72.04 -16.85 62.05 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.968 -0.293 . . . . 1.7 110.836 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.93 71.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.091 -0.504 . . . . 1.46 110.719 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -78.01 -74.53 1.01 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.683 -0.77 . . . . 2.0 111.413 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 7.4 m120 -140.14 147.34 40.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.084 -0.339 . . . . 5.0099999999999998 110.084 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1973 ' ' ARG . . . . . 0.461 ' HD2' ' HG2' ' A' 1969 ' ' GLN . 75.6 ttt180 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.262 -0.875 . . . . 8.1600000000000001 110.008 177.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.084 -0.406 . . . . 21.93 112.084 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 9.9 tp -155.16 146.31 13.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.737 -0.468 . . . . 20.550000000000001 109.737 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -74.78 145.17 81.22 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.84 -0.43 . . . . 19.41 109.84 177.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -44.58 -61.85 0.53 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.557 2.838 . . . . 18.440000000000001 113.592 -174.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 68.4 t80 -123.55 95.61 4.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.902 0.382 . . . . 20.98 110.308 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 9.8 t -76.01 126.22 30.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.068 -0.716 . . . . 16.809999999999999 109.068 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 49.7 t30 -122.92 127.08 48.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 16.420000000000002 110.78 -173.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -93.0 147.23 23.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.288 -0.415 . . . . 14.41 110.209 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -159.46 178.81 9.51 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.258 -0.645 . . . . 12.27 109.258 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -76.83 71.2 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.29 0.567 . . . . 10.710000000000001 110.278 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 43.0 t -175.41 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.359 -0.837 . . . . 8.9499999999999993 110.067 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 65.32 -71.6 0.08 Allowed 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.855 0.722 . . . . 7.1900000000000004 110.639 -174.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -153.38 -44.52 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.024 -0.732 . . . . 5.0 109.024 174.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 78.5 -9.87 33.0 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 115.722 -0.672 . . . . 4.2199999999999998 113.571 171.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 37.4 t -75.11 -54.37 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 2.7200000000000002 110.788 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.618 HG12 ' HB ' ' A' 1931 ' ' VAL . 46.4 t -123.88 -0.11 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.07 -0.514 . . . . 1.9199999999999999 110.624 -175.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -56.45 -37.14 73.18 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 116.014 -0.539 . . . . 2.1000000000000001 112.848 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -85.72 -23.57 45.82 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.664 -0.779 . . . . 1.3899999999999999 112.101 178.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.52 ' HB3' HG22 ' A' 1890 ' ' THR . 62.2 mtm -78.42 -40.64 35.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.53 0.205 . . . . 1.79 111.458 -177.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 14.9 p -61.61 -27.65 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.281 0.562 . . . . 1.28 110.099 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.31 -44.56 96.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.568 -0.742 . . . . 0.87 110.376 175.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 16.0 t -61.57 -45.61 93.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.953 -0.567 . . . . 1.3500000000000001 110.337 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.406 ' O ' HG13 ' A' 1835 ' ' ILE . 59.6 mt -59.78 -44.01 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.861 -0.609 . . . . 1.0900000000000001 110.492 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1832 ' ' THR . . . . . 0.419 ' O ' ' HB ' ' A' 1835 ' ' ILE . 29.2 m -67.34 -41.99 84.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.93 -0.577 . . . . 1.1399999999999999 111.109 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -62.67 -38.44 90.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.229 0.537 . . . . 3.02 110.478 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -63.19 -27.91 69.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 1.0600000000000001 111.16 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1835 ' ' ILE . . . . . 0.444 ' HA ' HE22 ' A' 1921 ' ' GLN . 75.4 mt -64.2 -43.13 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.498 . . . . 1.1899999999999999 110.381 175.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1836 ' ' ASN . . . . . 0.432 ' N ' HD21 ' A' 1836 ' ' ASN . 0.9 OUTLIER -64.92 -41.95 95.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.629 -0.714 . . . . 0.80000000000000004 111.754 -173.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1837 ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' 1834 ' ' ALA . 29.2 pt20 -66.22 -34.88 79.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.873 -173.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.563 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 97.3 mt -69.85 -42.08 74.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.342 . . . . 1.25 111.569 -173.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 32.3 t70 -87.41 -2.78 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.355 0.598 . . . . 1.79 109.998 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.1 -72.74 0.55 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.788 -0.642 . . . . 3.25 110.031 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1841 ' ' GLY . . . . . 0.451 ' HA2' ' HD3' ' A' 1842 ' ' PRO . . . -160.71 122.26 1.1 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.872 -0.68 . . . . 2.2799999999999998 112.197 -178.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1842 ' ' PRO . . . . . 0.451 ' HD3' ' HA2' ' A' 1841 ' ' GLY . 3.9 Cg_exo -80.04 163.85 22.7 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.191 2.594 . . . . 3.0899999999999999 111.903 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1843 ' ' MET . . . . . 0.622 ' H ' ' HB3' ' A' 1901 ' ' LYS . 73.6 mtm -76.08 121.45 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.456 -0.338 . . . . 5.5099999999999998 110.32 177.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -80.62 -173.21 46.54 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.745 -0.741 . . . . 2.1499999999999999 111.733 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 56.27 73.25 0.85 Allowed Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 122.644 0.378 . . . . 3.0800000000000001 110.617 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -65.71 106.8 0.96 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.123 1.882 . . . . 1.3 111.63 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.67 -7.16 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.399 0.619 . . . . 2.8199999999999998 110.615 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -137.39 177.63 19.68 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.865 -0.894 . . . . 1.21 110.865 176.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 28.7 m -95.56 164.08 12.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.953 0.377 . . . . 1.9399999999999999 110.1 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.498 ' HE1' HD13 ' A' 1916 ' ' ILE . 87.8 t80 -54.92 -37.29 66.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.072 -0.513 . . . . 0.89000000000000001 111.088 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.0 p -56.29 -38.45 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.261 -0.427 . . . . 1.3400000000000001 111.675 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.18 -50.5 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.684 0.278 . . . . 1.71 110.485 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.49 -36.89 83.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.244 -0.434 . . . . 1.4299999999999999 110.296 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.676 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 33.4 tt0 -57.74 -53.61 56.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.887 -0.597 . . . . 1.21 110.444 175.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 32.6 m -62.08 -31.3 71.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.746 -0.661 . . . . 2.1099999999999999 111.343 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 20.2 m -78.19 -44.31 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.961 -0.296 . . . . 1.1899999999999999 111.006 178.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 71.9 mtp -63.98 -44.29 93.15 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.16 0.43 . . . . 1.1000000000000001 112.16 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.8 m -60.73 -36.03 68.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.716 -0.394 . . . . 1.0700000000000001 110.954 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 61.7 mtm180 -67.0 -41.2 87.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.753 0.311 . . . . 3.6299999999999999 110.828 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.507 ' HB ' HD23 ' A' 1896 ' ' LEU . 4.0 m -72.87 -36.56 67.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.289 -0.414 . . . . 1.1100000000000001 110.981 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.526 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.48 -50.38 69.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 1.0900000000000001 110.795 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' 1858 ' ' VAL . 54.0 mtmt -61.89 -24.68 67.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.054 0.454 . . . . 1.8799999999999999 110.903 175.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1863 ' ' ALA . . . . . 0.417 ' O ' HG11 ' A' 1866 ' ' VAL . . . -72.69 -37.98 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 1.1499999999999999 111.29 177.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.639 HD12 HG22 ' A' 1961 ' ' VAL . 1.4 pp -79.43 -24.27 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.597 -0.441 . . . . 1.0800000000000001 110.26 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.818 ' HB3' HG12 ' A' 1961 ' ' VAL . . . -69.01 -32.65 72.35 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.035 -0.53 . . . . 0.98999999999999999 111.659 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.417 HG11 ' O ' ' A' 1863 ' ' ALA . 14.8 p -74.55 -26.9 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.482 -0.487 . . . . 1.45 109.938 176.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.591 ' O ' ' HG3' ' A' 1871 ' ' MET . 46.6 m -68.8 -53.39 21.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 1.0600000000000001 110.612 176.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.837 HG22 ' HB ' ' A' 1957 ' ' VAL . 2.3 p -61.08 -40.51 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.674 0.273 . . . . 1.05 111.286 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.447 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -66.04 -25.96 67.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.213 0.53 . . . . 0.91000000000000003 110.109 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' 1869 ' ' GLN . 9.2 tp10 -77.55 -40.51 42.24 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.105 -0.498 . . . . 0.56999999999999995 109.974 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.591 ' HG3' ' O ' ' A' 1867 ' ' THR . 84.9 mtp -60.81 -38.33 85.05 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.352 -0.385 . . . . 1.25 111.738 -174.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.444 HG22 HG21 ' A' 1951 ' ' ILE . 7.7 p -63.3 -38.32 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.394 0.616 . . . . 1.27 110.843 178.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 54.7 m -78.96 -37.48 39.44 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.483 -0.781 . . . . 1.1499999999999999 110.912 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.845 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 9.0 mmpt? -70.81 -38.03 73.27 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 116.073 -0.512 . . . . 1.97 112.205 -176.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 10.1 p -61.4 -26.94 68.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.174 0.511 . . . . 1.74 110.713 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1876 ' ' ASN . . . . . 0.41 HD22 HD13 ' A' 1951 ' ' ILE . 28.0 m-80 -81.48 -25.78 35.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.594 -0.73 . . . . 0.76000000000000001 111.779 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 4.5 p -108.61 -50.41 3.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.215 0.45 . . . . 1.71 112.215 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 4.7 t -141.86 91.87 8.04 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.228 -0.656 . . . . 1.4299999999999999 109.228 -173.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -60.94 -26.05 82.5 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.829 2.352 . . . . 1.02 113.176 -175.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.57 -8.52 59.62 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.78 -0.368 . . . . 2.2400000000000002 111.199 -178.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' 1885 ' ' LEU . 28.6 mt-10 -80.83 -9.69 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 1.8899999999999999 110.557 174.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' A' 1934 ' ' ALA . 96.5 mt -69.43 -34.54 74.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 1.1399999999999999 111.418 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1883 ' ' GLY . . . . . 0.424 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -59.0 -55.61 29.92 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 121.019 -0.61 . . . . 0.42999999999999999 113.484 -178.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' 1883 ' ' GLY . 11.1 Cg_endo -57.68 -32.23 94.06 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.444 2.096 . . . . 1.0 112.574 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.652 HD11 ' HG3' ' A' 1874 ' ' LYS . 80.2 mt -76.04 -44.55 38.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.415 -0.357 . . . . 1.0700000000000001 110.788 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1886 ' ' ALA . . . . . 0.488 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -56.48 -34.18 66.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.273 0.559 . . . . 1.1000000000000001 109.795 174.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -70.37 -45.25 66.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.476 -0.784 . . . . 1.4299999999999999 110.864 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -71.83 -36.29 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 1.0700000000000001 110.759 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.53 -32.97 74.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.575 -0.528 . . . . 1.05 109.575 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1890 ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' 1827 ' ' MET . 39.3 m -71.85 -51.28 23.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.533 -0.758 . . . . 1.0800000000000001 111.352 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 20.2 p -63.96 -51.29 65.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 1.72 111.659 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.469 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.1 m-20 -64.42 -31.21 72.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.822 -0.626 . . . . 0.80000000000000004 111.744 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1893 ' ' TYR . . . . . 0.437 ' HE2' ' HB3' ' A' 1834 ' ' ALA . 72.0 t80 -62.94 -41.43 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.825 -0.35 . . . . 1.05 110.305 175.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.04 63.69 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.014 -0.612 . . . . 0.34000000000000002 112.082 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.88 -53.02 36.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.669 -0.493 . . . . 3.48 109.669 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.507 HD23 ' HB ' ' A' 1860 ' ' THR . 19.4 mt -60.39 -41.19 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 1.45 111.444 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1897 ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -61.39 -27.58 68.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 1.1499999999999999 111.302 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 37.7 m -84.74 -40.22 17.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.355 -0.384 . . . . 1.8899999999999999 110.499 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.517 ' O ' ' HD2' ' A' 1902 ' ' PRO . 23.5 mt-30 -73.71 -27.38 61.17 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.849 -0.614 . . . . 1.5600000000000001 112.134 -175.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.52 -25.63 68.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.861 0.363 . . . . 1.0700000000000001 111.634 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.652 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 59.6 mtmt -70.03 -55.03 8.91 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.336 -0.393 . . . . 2.8500000000000001 111.844 -178.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.652 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 24.0 Cg_exo -64.05 -29.91 66.0 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.967 1.778 . . . . 0.87 112.042 175.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.83 96.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 1.0700000000000001 110.65 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.65 98.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.601 . . . . 1.0800000000000001 111.472 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 9.4 p -75.69 -26.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.868 0.365 . . . . 1.9199999999999999 111.145 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -77.5 -18.23 57.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 1.1699999999999999 110.98 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.5 143.89 51.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.025 -0.534 . . . . 1.23 110.181 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.52 -3.75 58.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.859 0.361 . . . . 2.6699999999999999 111.228 -176.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.419 ' HB3' HG12 ' A' 1912 ' ' ILE . 7.2 t30 -135.78 131.62 35.72 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.922 -0.399 . . . . 2.4900000000000002 109.922 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.99 -45.54 94.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.34 -0.391 . . . . 2.2400000000000002 111.379 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1911 ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' 1915 ' ' HIS . 2.5 mp0 -58.69 -21.18 53.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.539 -0.301 . . . . 2.4900000000000002 111.237 -178.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.443 ' O ' HG13 ' A' 1916 ' ' ILE . 43.1 mm -77.11 -48.58 24.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.763 -0.458 . . . . 1.3899999999999999 109.763 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.56 -41.01 99.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.778 -0.725 . . . . 0.57999999999999996 111.467 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.84 91.04 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.331 0.586 . . . . 1.22 110.457 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.572 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.4 t-160 -63.97 -46.48 84.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.424 -0.807 . . . . 2.1800000000000002 110.279 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.498 HD13 ' HE1' ' A' 1850 ' ' PHE . 89.0 mt -58.55 -54.62 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 1.1299999999999999 111.119 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.66 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.8 ptpt -61.14 -37.98 84.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 1.8100000000000001 110.751 -177.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1918 ' ' HIS . . . . . 0.58 ' HD2' ' HG3' ' A' 1917 ' ' LYS . 4.4 m-70 -75.46 -25.05 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.268 0.469 . . . . 2.52 112.268 -177.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.661 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 0.5 OUTLIER -74.75 -31.12 61.71 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.278 -0.569 . . . . 3.1499999999999999 110.48 175.155 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 32.4 t -73.14 -23.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.62 -0.511 . . . . 1.1200000000000001 109.62 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.66 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.1 mm-40 -64.21 -36.89 85.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.344 0.592 . . . . 1.22 109.526 172.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' 1919 ' ' ARG . 7.7 mm-40 -59.1 -49.08 79.23 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.187 -0.915 . . . . 1.49 109.592 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.03 -41.58 96.84 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.206 -0.906 . . . . 1.3700000000000001 110.537 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -52.54 -53.15 33.63 Favored Glycine 0 C--O 1.223 -0.574 0 C-N-CA 121.184 -0.531 . . . . 0.64000000000000001 112.703 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -75.11 -37.17 61.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.129 0.464 . . . . 0.85999999999999999 111.027 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.06 -54.13 19.06 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.933 -0.651 . . . . 0.28000000000000003 112.438 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.446 ' O ' HG21 ' A' 1931 ' ' VAL . 72.0 m -61.36 -40.4 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.375 -0.231 . . . . 1.6599999999999999 110.375 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 9.5 m -53.91 -52.01 61.92 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.872 0.368 . . . . 1.5 110.934 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.98 -44.22 97.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.905 -0.589 . . . . 1.01 111.043 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.536 HD12 HG21 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.46 -53.1 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 1.0700000000000001 111.044 -177.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.618 ' HB ' HG12 ' A' 1824 ' ' VAL . 33.3 m -66.05 -31.25 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.851 0.358 . . . . 1.0800000000000001 111.0 -177.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 98.8 m -70.0 -44.01 70.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.158 0.504 . . . . 1.4099999999999999 110.442 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.431 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 40.4 tptt -65.03 -40.68 95.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.776 -0.647 . . . . 1.6799999999999999 110.194 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1934 ' ' ALA . . . . . 0.474 ' HB3' ' HB3' ' A' 1882 ' ' LEU . . . -59.7 -41.07 89.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 1.03 111.346 176.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.81 98.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.866 -0.683 . . . . 0.42999999999999999 111.934 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.15 -33.69 63.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.644 0.259 . . . . 1.3100000000000001 110.917 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.08 -40.29 86.97 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.768 -0.456 . . . . 1.1200000000000001 109.768 -178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.09 -25.67 68.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.758 0.313 . . . . 1.46 111.334 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 79.4 m -77.19 -15.15 59.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.356 . . . . 2.3599999999999999 111.163 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 56.3 m -153.89 66.66 5.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.04 -14.98 48.25 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.195 2.597 . . . . 0.72999999999999998 113.191 -170.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 49.0 m -87.84 -13.79 41.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.02 -0.536 . . . . 1.95 112.028 -174.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.92 117.99 20.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.123 0.487 . . . . 1.1599999999999999 110.421 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 26.0 t -71.95 -34.52 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.692 -0.685 . . . . 1.96 111.32 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 65.4 t80 -63.27 -49.94 72.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.518 -0.31 . . . . 2.25 110.99 -177.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 20.2 m -59.89 -41.86 92.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.065 0.46 . . . . 1.1200000000000001 110.609 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.408 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 36.7 ttpt -65.68 -42.9 90.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.697 -0.683 . . . . 1.8500000000000001 110.539 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.541 ' HB2' ' HZ2' ' A' 1948 ' ' LYS . 4.0 ttmp? -58.59 -41.16 85.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 3.1899999999999999 110.792 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.444 ' HA ' ' OE1' ' A' 1952 ' ' GLU . 29.4 mt-10 -67.89 -34.48 76.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.42 -0.354 . . . . 1.53 111.158 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -65.9 -37.87 87.24 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.726 -0.472 . . . . 1.0900000000000001 109.726 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.5 ' O ' ' HG2' ' A' 1955 ' ' ARG . 86.2 mt -55.45 -45.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.996 -0.547 . . . . 1.1100000000000001 109.891 174.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' 1948 ' ' LYS . 35.9 mt-10 -65.05 -40.63 95.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 2.1099999999999999 110.622 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 73.1 m -59.98 -41.14 91.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.906 0.384 . . . . 1.6799999999999999 110.534 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.33 92.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.944 -0.571 . . . . 1.0800000000000001 111.116 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' 1951 ' ' ILE . 28.7 mmt180 -59.31 -44.35 92.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.015 0.436 . . . . 3.7200000000000002 109.929 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.535 ' O ' ' HG2' ' A' 1960 ' ' LYS . 2.5 mmp_? -56.84 -50.88 71.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.418 -0.81 . . . . 3.6299999999999999 110.785 -178.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.837 ' HB ' HG22 ' A' 1868 ' ' VAL . 39.8 t -61.32 -47.47 93.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.851 -0.613 . . . . 1.0600000000000001 110.705 -178.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 34.4 t -56.18 -41.8 76.08 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.306 -0.406 . . . . 1.6599999999999999 110.726 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' 1955 ' ' ARG . 44.5 mt-10 -62.56 -41.91 99.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.216 0.532 . . . . 1.8600000000000001 110.877 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.575 ' O ' HG22 ' A' 1964 ' ' VAL . 29.9 mmtp -73.86 -32.42 63.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 1.4199999999999999 111.746 -173.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.818 HG12 ' HB3' ' A' 1865 ' ' ALA . 59.0 t -56.35 -46.88 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.9 0.381 . . . . 1.0800000000000001 110.523 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 15.6 m -62.64 -31.6 72.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.064 -0.516 . . . . 1.54 110.727 179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 38.9 m170 -72.02 -37.13 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 1.8899999999999999 110.168 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.599 HG21 ' HB3' ' A' 1919 ' ' ARG . 48.6 t -66.52 -46.62 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 1.1200000000000001 110.0 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 69.1 mt -55.99 -46.51 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 1.0800000000000001 110.665 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.84 73.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 1.1200000000000001 111.329 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.3 -28.61 69.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 1.0900000000000001 110.864 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.676 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -71.93 -50.93 24.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 1.1000000000000001 111.444 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -68.61 -26.4 65.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.589 -0.444 . . . . 1.7 110.57 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -65.55 -25.98 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 1.46 110.988 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -90.84 3.35 80.99 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.731 -0.747 . . . . 2.0 112.471 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -144.71 81.17 1.65 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.17 0.51 . . . . 5.0099999999999998 110.497 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.106 -0.949 . . . . 8.1600000000000001 109.942 177.627 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.47 -0.652 . . . . 21.93 111.47 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 26.1 pt -85.05 -20.66 8.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.299 0.571 . . . . 20.550000000000001 110.119 178.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1811 ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' 1812 ' ' PRO . 16.4 t70 -109.82 136.97 20.32 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.596 -0.729 . . . . 19.41 109.575 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1812 ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' 1811 ' ' ASP . 10.2 Cg_exo -72.34 13.42 0.54 Allowed 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.343 2.695 . . . . 18.440000000000001 113.409 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 99.0 m-85 66.33 87.26 0.12 Allowed 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 122.933 0.493 . . . . 20.98 111.136 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 59.1 p 59.48 125.74 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.669 1.187 . . . . 16.809999999999999 112.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -76.44 70.53 3.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.527 0.68 . . . . 16.420000000000002 110.258 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.578 ' HB3' ' HB2' ' A' 1884 ' ' PRO . 10.4 tp10 65.98 93.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.754 -1.112 . . . . 14.41 111.028 -177.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -120.91 11.2 11.02 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.229 -0.896 . . . . 12.27 110.192 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -98.53 -49.05 4.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 10.710000000000001 110.257 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 19.8 m -87.84 104.25 16.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 8.9499999999999993 110.473 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -104.25 123.14 46.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.346 -0.388 . . . . 7.1900000000000004 110.511 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -165.91 -50.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.172 -0.467 . . . . 5.0 110.457 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1822 ' ' GLY . . . . . 0.541 ' HA2' ' HA3' ' A' 1883 ' ' GLY . . . 83.1 -62.0 4.7 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.739 -0.743 . . . . 4.2199999999999998 111.406 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 12.7 p -100.86 149.28 6.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.239 -0.652 . . . . 2.7200000000000002 109.239 175.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.773 ' HB ' ' HB ' ' A' 1828 ' ' VAL . 12.6 m -76.74 99.84 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 122.076 0.941 . . . . 1.9199999999999999 112.098 -176.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -146.34 107.95 0.43 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.441 -1.254 . . . . 2.1000000000000001 110.786 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 112.05 -60.85 0.32 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.815 -0.707 . . . . 1.3899999999999999 112.207 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.73 ' HE2' HG12 ' A' 1824 ' ' VAL . 0.0 OUTLIER -80.33 -26.08 38.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.961 0.38 . . . . 1.79 111.113 -176.477 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1828 ' ' VAL . . . . . 0.773 ' HB ' ' HB ' ' A' 1824 ' ' VAL . 12.5 p -62.74 -26.1 39.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.95 0.405 . . . . 1.28 110.555 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.98 -34.54 65.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.869 -0.605 . . . . 0.87 111.063 175.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 41.1 m -65.71 -23.88 66.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.917 -0.583 . . . . 1.3500000000000001 111.688 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.461 HG13 HG23 ' A' 1890 ' ' THR . 67.4 mt -72.55 -51.32 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.059 0.457 . . . . 1.0900000000000001 109.952 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 7.0 m -66.01 -37.69 86.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.843 -0.617 . . . . 1.1399999999999999 110.692 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -61.34 -39.21 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.331 -0.395 . . . . 3.02 110.581 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.508 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -60.69 -35.31 75.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 1.0600000000000001 111.001 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1835 ' ' ILE . . . . . 0.655 ' HA ' HE22 ' A' 1921 ' ' GLN . 50.6 mt -63.61 -46.13 95.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.277 -0.42 . . . . 1.1899999999999999 110.018 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -65.66 -46.84 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.654 -0.703 . . . . 0.80000000000000004 111.755 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1837 ' ' GLN . . . . . 0.508 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 13.6 pt20 -63.33 -38.53 91.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.782 0.325 . . . . 1.0 111.361 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.474 HD22 ' HG2' ' A' 1901 ' ' LYS . 30.8 mt -67.74 -44.57 77.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.522 -0.308 . . . . 1.25 110.666 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.29 -41.36 96.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 1.79 110.259 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.45 -49.07 68.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.584 -0.734 . . . . 3.25 110.851 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 147.78 167.75 13.61 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.568 -0.825 . . . . 2.2799999999999998 112.393 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1842 ' ' PRO . . . . . 0.453 ' HA ' ' HB3' ' A' 1901 ' ' LYS . 2.4 Cg_endo -81.73 173.9 10.84 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.123 2.549 . . . . 3.0899999999999999 111.703 177.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 26.2 mmt -97.08 -17.29 20.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.829 0.347 . . . . 5.5099999999999998 110.257 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1844 ' ' GLY . . . . . 0.672 ' HA2' HG21 ' A' 1905 ' ' VAL . . . 70.42 -165.72 51.6 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.943 -0.646 . . . . 2.1499999999999999 111.983 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 48.6 m-20 52.57 67.44 3.92 Favored Pre-proline 0 C--O 1.236 0.356 0 C-N-CA 122.96 0.504 . . . . 3.0800000000000001 111.672 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -74.33 148.55 38.73 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.168 1.912 . . . . 1.3 111.734 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.713 ' H ' ' HH ' ' A' 1853 ' ' TYR . 27.6 tt0 -87.49 -37.87 16.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.249 0.547 . . . . 2.8199999999999998 110.202 -178.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -118.32 -171.52 15.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.672 -0.775 . . . . 1.21 111.822 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 15.1 m -88.55 172.77 9.07 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.073 -0.343 . . . . 1.9399999999999999 110.073 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.531 ' HE1' HD11 ' A' 1916 ' ' ILE . 66.9 t80 -56.85 -39.66 74.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.428 -0.351 . . . . 0.89000000000000001 110.907 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -56.15 -37.04 47.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.257 -0.428 . . . . 1.3400000000000001 111.909 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.88 -48.49 30.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 1.71 110.365 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.713 ' HH ' ' H ' ' A' 1847 ' ' GLU . 70.0 m-85 -63.14 -34.36 77.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 1.4299999999999999 110.559 177.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.667 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 30.9 tt0 -56.68 -57.1 13.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 1.21 110.251 174.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 12.0 m -61.8 -35.31 77.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.659 -0.701 . . . . 2.1099999999999999 110.751 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 27.8 m -65.78 -44.5 85.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.081 0.467 . . . . 1.1899999999999999 110.596 177.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1857 ' ' MET . . . . . 0.474 ' SD ' ' HB2' ' A' 1899 ' ' GLN . 67.7 mmm -68.01 -45.38 74.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 1.1000000000000001 111.773 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.664 ' O ' ' HG3' ' A' 1862 ' ' LYS . 25.8 m -63.66 -34.39 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.699 -0.4 . . . . 1.0700000000000001 111.538 -175.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -65.4 -38.65 90.59 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.939 0.399 . . . . 3.6299999999999999 110.79 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.571 ' HB ' HD23 ' A' 1896 ' ' LEU . 20.4 m -75.72 -36.03 60.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.545 . . . . 1.1100000000000001 110.448 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.83 -45.68 91.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 1.0900000000000001 111.199 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.664 ' HG3' ' O ' ' A' 1858 ' ' VAL . 86.5 mttt -59.45 -35.8 74.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 1.8799999999999999 110.318 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.97 83.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.545 -0.752 . . . . 1.1499999999999999 111.458 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.735 HD11 HG21 ' A' 1961 ' ' VAL . 1.4 pp -74.92 -25.88 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.201 -0.599 . . . . 1.0800000000000001 109.879 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.79 ' HB1' HG13 ' A' 1961 ' ' VAL . . . -71.17 -39.04 72.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.099 -0.501 . . . . 0.98999999999999999 111.311 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.49 ' O ' ' HG3' ' A' 1869 ' ' GLN . 14.9 p -73.28 -23.62 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.233 0.54 . . . . 1.45 109.873 175.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.57 ' O ' ' HG3' ' A' 1871 ' ' MET . 75.1 m -69.65 -52.58 24.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 1.0600000000000001 110.362 174.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.803 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.1 p -61.28 -38.75 80.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 121.182 -0.207 . . . . 1.05 110.971 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.49 ' HG3' ' O ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.27 -29.04 69.19 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.568 -0.453 . . . . 0.91000000000000003 109.922 178.715 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -75.59 -33.15 60.55 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 109.573 -0.529 . . . . 0.56999999999999995 109.573 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.57 ' HG3' ' O ' ' A' 1867 ' ' THR . 80.3 mtp -66.11 -45.11 82.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.402 -0.363 . . . . 1.25 110.798 -178.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.423 ' HB ' ' CB ' ' A' 1954 ' ' ALA . 3.1 p -63.23 -42.14 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.554 0.693 . . . . 1.27 110.489 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.6 m -65.24 -46.81 79.08 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.982 -1.008 . . . . 1.1499999999999999 111.303 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.651 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 8.1 mmpt? -74.74 -28.98 61.0 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 116.321 -0.4 . . . . 1.97 111.77 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.469 ' HA ' HD11 ' A' 1882 ' ' LEU . 26.7 t -59.76 -28.12 67.12 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.852 -0.53 . . . . 1.74 110.658 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -81.93 -33.31 30.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.831 -0.622 . . . . 0.76000000000000001 111.755 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 10.9 p -108.36 -36.49 6.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.057 0.762 . . . . 1.71 113.057 -170.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1878 ' ' SER . . . . . 0.418 ' HB3' ' HG3' ' A' 1881 ' ' GLU . 73.2 m -148.48 88.7 5.27 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.264 -0.425 . . . . 1.4299999999999999 110.743 -170.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -69.73 -22.57 32.04 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.709 2.273 . . . . 1.02 112.624 -176.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.99 -21.04 51.47 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.474 -0.49 . . . . 2.2400000000000002 110.21 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' 1885 ' ' LEU . 33.7 mt-10 -79.22 -10.02 59.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 1.8899999999999999 110.507 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.469 HD11 ' HA ' ' A' 1875 ' ' SER . 94.8 mt -68.52 -25.81 65.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.09 -0.505 . . . . 1.1399999999999999 111.055 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1883 ' ' GLY . . . . . 0.541 ' HA3' ' HA2' ' A' 1822 ' ' GLY . . . -62.4 -56.03 24.13 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.925 -0.655 . . . . 0.42999999999999999 113.67 -176.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.578 ' HB2' ' HB3' ' A' 1816 ' ' GLU . 17.8 Cg_endo -62.18 -30.81 82.47 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.239 1.959 . . . . 1.0 112.243 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.9 mt -71.14 -38.56 72.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.551 -0.295 . . . . 1.0700000000000001 110.447 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1886 ' ' ALA . . . . . 0.564 ' HA ' HG13 ' A' 1931 ' ' VAL . . . -58.89 -35.07 72.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.444 0.64 . . . . 1.1000000000000001 109.696 175.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1887 ' ' ASN . . . . . 0.43 ' ND2' ' HE3' ' A' 1827 ' ' MET . 11.1 m120 -74.55 -45.83 42.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.159 -0.928 . . . . 1.4299999999999999 111.6 178.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -67.84 -40.31 83.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.863 0.32 . . . . 1.0700000000000001 111.863 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.93 -32.99 74.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.146 0.498 . . . . 1.05 109.914 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1890 ' ' THR . . . . . 0.461 HG23 HG13 ' A' 1831 ' ' ILE . 53.4 m -70.02 -47.49 61.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.469 -0.787 . . . . 1.0800000000000001 111.59 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 49.4 p -70.28 -47.07 62.85 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.197 0.522 . . . . 1.72 111.571 -172.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.57 -25.76 65.06 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.637 -0.711 . . . . 0.80000000000000004 111.853 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -62.93 -43.71 98.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 1.05 110.374 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.31 -25.26 60.07 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.22 -0.514 . . . . 0.34000000000000002 112.52 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' 1899 ' ' GLN . 58.8 mtp180 -68.94 -48.77 62.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.645 -0.502 . . . . 3.48 109.645 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.571 HD23 ' HB ' ' A' 1860 ' ' THR . 49.4 mt -59.59 -42.83 93.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 1.45 110.465 176.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1897 ' ' ALA . . . . . 0.471 ' HA ' HG13 ' A' 1920 ' ' VAL . . . -62.01 -34.63 76.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.514 . . . . 1.1499999999999999 111.436 -179.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.6 t -75.43 -46.09 34.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.377 -0.374 . . . . 1.8899999999999999 110.445 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.474 ' HB2' ' SD ' ' A' 1857 ' ' MET . 13.9 mt-30 -71.54 -25.73 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 1.5600000000000001 111.561 -175.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.24 -27.57 69.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 1.0700000000000001 111.994 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.793 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 30.6 mtmm -66.41 -57.16 13.17 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.64 -0.255 . . . . 2.8500000000000001 111.275 -176.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.793 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 17.3 Cg_exo -67.78 -29.99 34.58 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.977 1.784 . . . . 0.87 111.893 176.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.36 93.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.289 -0.414 . . . . 1.0700000000000001 110.686 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -64.39 -35.91 82.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 1.0800000000000001 111.194 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.672 HG21 ' HA2' ' A' 1844 ' ' GLY . 41.8 t -75.16 -41.01 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 1.9199999999999999 110.711 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1906 ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -79.41 -8.0 58.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.048 -0.523 . . . . 1.1699999999999999 111.277 -178.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -63.21 138.91 58.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 1.23 111.216 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.09 -47.09 75.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.821 -0.627 . . . . 2.6699999999999999 110.878 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.652 ' HB2' HG12 ' A' 1912 ' ' ILE . 5.2 m-20 -98.23 146.33 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.129 -0.487 . . . . 2.4900000000000002 111.156 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.13 -47.19 83.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 2.2400000000000002 110.287 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.66 -41.78 91.35 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.333 -0.394 . . . . 2.4900000000000002 110.676 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.652 HG12 ' HB2' ' A' 1909 ' ' ASN . 29.7 mm -58.22 -51.09 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.054 -0.521 . . . . 1.3899999999999999 110.874 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.0 -42.1 99.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.558 -0.83 . . . . 0.57999999999999996 112.103 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.92 92.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.135 0.493 . . . . 1.22 110.581 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.627 ' O ' ' HG2' ' A' 1919 ' ' ARG . 30.0 m-70 -66.98 -39.6 87.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.707 -0.678 . . . . 2.1800000000000002 111.326 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' 1912 ' ' ILE . 92.2 mt -53.47 -51.98 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.996 0.427 . . . . 1.1299999999999999 110.162 176.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.53 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.5 mtpp -55.96 -49.35 73.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.383 -0.826 . . . . 1.8100000000000001 110.681 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -65.31 -34.09 77.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.958 -1.019 . . . . 2.52 112.526 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.716 ' HA ' ' HG3' ' A' 1922 ' ' GLU . 38.5 mmt180 -69.03 -36.17 77.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.004 0.431 . . . . 3.1499999999999999 110.693 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.471 HG13 ' HA ' ' A' 1897 ' ' ALA . 40.3 t -70.9 -27.8 31.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.768 -0.456 . . . . 1.1200000000000001 109.768 176.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.655 HE22 ' HA ' ' A' 1835 ' ' ILE . 22.4 mm-40 -64.7 -36.1 83.19 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.213 -0.449 . . . . 1.22 109.87 174.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.716 ' HG3' ' HA ' ' A' 1919 ' ' ARG . 4.2 mt-10 -62.81 -49.29 75.54 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.273 -0.64 . . . . 1.49 109.273 176.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 41.6 mt -59.8 -29.29 68.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.338 -0.847 . . . . 1.3700000000000001 110.711 176.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1924 ' ' GLY . . . . . 0.428 ' O ' HD13 ' A' 1835 ' ' ILE . . . -64.35 -23.0 67.98 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.731 -0.668 . . . . 0.64000000000000001 112.664 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -108.36 -19.07 13.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.961 0.41 . . . . 0.85999999999999999 110.325 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1926 ' ' GLY . . . . . 0.563 ' HA2' ' HD3' ' A' 1956 ' ' ARG . . . -76.9 -58.98 3.3 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.005 -0.617 . . . . 0.28000000000000003 112.001 175.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 61.9 m -61.3 -40.5 94.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 1.6599999999999999 110.846 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 3.3 p -57.23 -52.24 66.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 1.5 111.09 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.42 91.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.819 -0.628 . . . . 1.01 111.072 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.546 ' CD1' HG23 ' A' 1868 ' ' VAL . 0.3 OUTLIER -63.35 -53.5 51.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 1.0700000000000001 110.594 -178.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.564 HG13 ' HA ' ' A' 1886 ' ' ALA . 31.7 m -66.67 -30.61 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.402 -0.363 . . . . 1.0800000000000001 110.969 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 92.1 m -67.93 -45.25 74.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 1.4099999999999999 110.19 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.478 ' HE2' ' CB ' ' A' 1949 ' ' GLU . 29.6 tptt -66.48 -37.28 84.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.89 -0.596 . . . . 1.6799999999999999 110.568 -177.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.14 81.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.221 -0.445 . . . . 1.03 111.095 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -62.85 -38.23 96.2 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.592 -0.814 . . . . 0.42999999999999999 111.732 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.16 -34.85 61.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.793 0.33 . . . . 1.3100000000000001 111.024 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.44 HD11 ' O ' ' A' 1937 ' ' LEU . 3.0 tm? -67.96 -33.96 75.66 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.742 -0.466 . . . . 1.1200000000000001 109.742 -178.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -68.6 -25.68 64.99 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.998 0.428 . . . . 1.46 110.978 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 67.8 m -77.57 -13.04 60.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.983 -0.553 . . . . 2.3599999999999999 110.642 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 49.4 m -151.46 64.66 6.13 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.311 -0.626 . . . . 1.0 109.311 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.13 10.67 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.949 2.433 . . . . 0.72999999999999998 113.717 -171.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 23.1 t -123.31 4.51 9.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.287 0.565 . . . . 1.95 109.846 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -86.52 131.97 34.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.0 -0.545 . . . . 1.1599999999999999 110.398 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 42.3 t -79.99 -41.26 21.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.057 -0.52 . . . . 1.96 110.543 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 48.3 t80 -59.27 -54.39 47.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.154 -0.476 . . . . 2.25 111.323 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.408 HG23 ' HE3' ' A' 1933 ' ' LYS . 15.6 m -61.22 -41.01 96.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 1.1200000000000001 111.064 -178.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.493 ' O ' HG13 ' A' 1951 ' ' ILE . 6.6 ttpm? -66.72 -42.32 86.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 1.8500000000000001 110.499 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -59.42 -41.91 90.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 3.1899999999999999 110.073 178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.478 ' CB ' ' HE2' ' A' 1933 ' ' LYS . 47.0 mt-10 -63.71 -40.42 96.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.037 -0.528 . . . . 1.53 110.59 176.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.5 tt -64.23 -40.06 95.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.442 -0.344 . . . . 1.0900000000000001 110.394 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' 1947 ' ' LYS . 78.6 mt -59.57 -41.75 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.942 -0.392 . . . . 1.1100000000000001 109.942 176.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.41 -43.58 98.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.143 -0.481 . . . . 2.1099999999999999 110.313 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.595 ' O ' HG21 ' A' 1957 ' ' VAL . 82.3 m -60.79 -42.75 98.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.565 . . . . 1.6799999999999999 110.88 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1954 ' ' ALA . . . . . 0.423 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -62.53 -46.79 86.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 1.0800000000000001 110.778 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.53 ' O ' ' HG3' ' A' 1959 ' ' GLU . 98.9 mtt180 -60.68 -33.13 72.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.02 -0.536 . . . . 3.7200000000000002 110.452 178.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.573 ' O ' ' HG2' ' A' 1960 ' ' LYS . 0.0 OUTLIER -66.89 -33.25 75.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.886 -0.597 . . . . 3.6299999999999999 110.504 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.803 ' HB ' HG21 ' A' 1868 ' ' VAL . 37.9 t -77.48 -45.86 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 1.0600000000000001 110.561 -178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 69.5 m -54.77 -37.91 66.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.97 -0.559 . . . . 1.6599999999999999 111.403 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' 1955 ' ' ARG . 60.3 mt-10 -68.81 -33.05 73.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.42 . . . . 1.8600000000000001 110.702 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.2 mmtt -74.3 -39.04 63.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.145 -0.479 . . . . 1.4199999999999999 110.634 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.79 HG13 ' HB1' ' A' 1865 ' ' ALA . 40.1 t -56.75 -44.97 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.85 0.357 . . . . 1.0800000000000001 110.637 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 17.0 m -60.64 -34.89 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.023 -0.535 . . . . 1.54 110.665 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.577 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 37.4 m80 -74.52 -35.55 63.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.8899999999999999 111.34 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.592 HG22 ' HB3' ' A' 1919 ' ' ARG . 78.2 t -61.8 -51.13 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.642 -0.503 . . . . 1.1200000000000001 109.642 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.461 HD21 ' HB3' ' A' 1861 ' ' ALA . 69.3 mt -58.9 -40.25 83.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.586 -0.734 . . . . 1.0800000000000001 110.635 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.11 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.608 . . . . 1.1200000000000001 111.491 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.19 90.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 1.0900000000000001 110.614 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.667 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.3 mm? -70.45 -55.15 9.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.846 -0.615 . . . . 1.1000000000000001 110.939 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -66.22 -18.27 65.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.97 -0.559 . . . . 1.7 112.14 -174.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -77.63 -20.42 53.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.683 -0.235 . . . . 1.46 110.824 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1971 ' ' GLY . . . . . 0.504 ' HA2' HG13 ' A' 1912 ' ' ILE . . . -73.71 -67.47 1.77 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.827 -0.701 . . . . 2.0 112.1 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.19 171.76 13.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.765 0.316 . . . . 5.0099999999999998 110.309 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1973 ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' 1973 ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.243 0.761 0 CA-C-O 118.738 -0.649 . . . . 8.1600000000000001 109.825 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 112.064 -0.415 . . . . 21.93 112.064 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 10.6 tp -154.03 135.83 5.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.903 0.383 . . . . 20.550000000000001 109.988 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1811 ' ' ASP . . . . . 0.414 ' OD2' ' HB2' ' A' 1813 ' ' PHE . 7.1 p-10 -133.0 146.32 60.79 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.831 -0.433 . . . . 19.41 109.831 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.62 13.95 0.69 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.15 2.566 . . . . 18.440000000000001 114.068 -171.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1813 ' ' PHE . . . . . 0.414 ' HB2' ' OD2' ' A' 1811 ' ' ASP . 65.5 m-85 -96.15 30.81 2.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.941 0.4 . . . . 20.98 111.216 -177.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1814 ' ' THR . . . . . 0.484 HG23 ' HB3' ' A' 1817 ' ' ALA . 2.0 m -69.25 92.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.369 -0.604 . . . . 16.809999999999999 109.369 174.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -78.93 115.04 18.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.975 -0.557 . . . . 16.420000000000002 111.564 -171.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 48.98 60.61 3.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.445 -0.798 . . . . 14.41 111.625 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.484 ' HB3' HG23 ' A' 1814 ' ' THR . . . -166.67 128.31 1.73 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.151 -0.931 . . . . 12.27 109.587 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -87.58 161.91 17.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.374 -0.375 . . . . 10.710000000000001 110.124 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 30.2 m -55.29 126.1 23.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.415 -0.357 . . . . 8.9499999999999993 110.227 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -75.54 91.74 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.994 -0.548 . . . . 7.1900000000000004 110.901 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -145.96 -76.42 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.661 . . . . 5.0 110.379 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 63.2 27.78 71.14 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.839 -0.696 . . . . 4.2199999999999998 111.971 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 19.1 m -134.69 178.4 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.762 0.315 . . . . 2.7200000000000002 110.454 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.842 HG12 ' HB2' ' A' 1827 ' ' MET . 71.5 t -100.85 103.45 14.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.331 0.586 . . . . 1.9199999999999999 111.101 -176.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -119.42 -46.76 0.39 Allowed Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.532 -0.758 . . . . 2.1000000000000001 111.702 175.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -78.42 -39.22 22.9 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.849 -0.691 . . . . 1.3899999999999999 112.213 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.842 ' HB2' HG12 ' A' 1824 ' ' VAL . 1.6 mpt? -58.54 -52.08 67.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.106 0.479 . . . . 1.79 110.559 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.2 p -61.14 -32.3 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.594 -0.73 . . . . 1.28 111.325 -173.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.28 -45.98 68.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.935 0.398 . . . . 0.87 110.173 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 34.6 m -61.05 -39.51 90.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 1.3500000000000001 110.832 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' 1827 ' ' MET . 72.8 mt -60.95 -49.65 83.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 121.054 0.454 . . . . 1.0900000000000001 110.449 176.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 25.4 m -63.84 -39.01 93.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 1.1399999999999999 111.162 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -65.82 -36.35 83.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.709 0.29 . . . . 3.02 110.551 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.598 ' O ' ' HG ' ' A' 1838 ' ' LEU . . . -62.04 -40.32 95.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 1.0600000000000001 110.278 176.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.74 -54.12 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 1.1899999999999999 110.568 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -59.16 -54.26 48.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.54 -0.754 . . . . 0.80000000000000004 111.907 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -59.19 -30.61 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.146 0.424 . . . . 1.0 112.146 -172.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' 1834 ' ' ALA . 92.7 mt -61.42 -49.74 75.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.088 0.471 . . . . 1.25 110.905 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.13 -30.69 18.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.903 -0.59 . . . . 1.79 111.791 -173.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -75.19 -20.27 59.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.665 0.269 . . . . 3.25 111.311 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 166.19 100.66 0.15 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.401 -0.904 . . . . 2.2799999999999998 112.715 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.78 -7.37 21.0 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.647 2.232 . . . . 3.0899999999999999 111.683 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 23.8 mmt 72.87 -55.08 0.69 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.148 0.979 . . . . 5.5099999999999998 111.455 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1844 ' ' GLY . . . . . 0.904 ' HA2' HG12 ' A' 1905 ' ' VAL . . . 95.36 69.69 1.05 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.714 -0.755 . . . . 2.1499999999999999 111.353 -178.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -129.26 64.53 71.44 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.885 0.374 . . . . 3.0800000000000001 111.967 -176.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.479 ' HA ' ' HB3' ' A' 1902 ' ' PRO . 7.0 Cg_endo -83.89 122.16 2.96 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.372 2.048 . . . . 1.3 112.301 178.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -99.05 11.79 37.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.865 -0.607 . . . . 2.8199999999999998 109.47 176.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -162.78 178.98 38.33 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.556 -1.018 . . . . 1.21 110.556 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 29.5 t -80.25 169.93 17.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.133 0.467 . . . . 1.9399999999999999 110.226 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.53 ' HE1' HD11 ' A' 1916 ' ' ILE . 83.9 t80 -57.91 -35.58 71.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.011 0.434 . . . . 0.89000000000000001 110.737 178.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.1 p -64.89 -36.63 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 1.3400000000000001 110.939 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.77 -50.69 65.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.083 0.468 . . . . 1.71 110.635 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.447 ' HD1' ' HB3' ' A' 1899 ' ' GLN . 57.7 m-85 -65.48 -33.88 76.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.863 -0.608 . . . . 1.4299999999999999 111.041 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.6 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 7.1 tt0 -61.13 -53.17 60.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.423 -0.353 . . . . 1.21 110.507 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 6.9 p -60.1 -28.68 68.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.426 -0.352 . . . . 2.1099999999999999 111.807 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 51.1 m -78.16 -51.35 10.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.748 0.308 . . . . 1.1899999999999999 111.032 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.3 mtp -62.04 -39.82 93.64 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.284 0.476 . . . . 1.1000000000000001 112.284 -174.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.687 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.6 m -62.26 -32.82 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.598 -0.441 . . . . 1.0700000000000001 111.011 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -72.15 -49.45 35.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.926 0.394 . . . . 3.6299999999999999 110.488 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.51 ' HB ' HD21 ' A' 1896 ' ' LEU . 19.3 m -65.05 -33.33 75.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 1.1100000000000001 110.881 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.505 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.56 -45.04 94.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.478 -0.328 . . . . 1.0900000000000001 110.507 176.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.687 ' HG3' ' O ' ' A' 1858 ' ' VAL . 62.1 mttm -58.81 -36.71 74.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.446 -0.343 . . . . 1.8799999999999999 110.439 175.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.94 -49.51 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 1.1499999999999999 111.264 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.683 HD11 HG21 ' A' 1961 ' ' VAL . 1.5 pp -67.43 -25.4 33.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.952 0.406 . . . . 1.0800000000000001 110.202 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.695 ' HB1' HG12 ' A' 1961 ' ' VAL . . . -67.75 -28.87 67.99 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.016 -0.538 . . . . 0.98999999999999999 110.751 176.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' 1862 ' ' LYS . 58.4 t -73.27 -35.03 45.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.106 0.479 . . . . 1.45 109.718 175.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 20.6 m -66.89 -45.62 77.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 1.0600000000000001 110.972 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.772 HG23 ' HB ' ' A' 1957 ' ' VAL . 2.8 p -65.74 -35.69 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.713 0.292 . . . . 1.05 110.812 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.428 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -71.75 -26.96 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.91000000000000003 109.817 178.321 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' 1869 ' ' GLN . 4.0 tp10 -73.09 -34.83 66.44 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.566 -0.531 . . . . 0.56999999999999995 109.566 176.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.526 ' SD ' HD22 ' A' 1882 ' ' LEU . 3.7 mmt -55.77 -53.49 56.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.843 -0.617 . . . . 1.25 111.592 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 9.3 p -60.5 -39.42 81.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.255 0.55 . . . . 1.27 111.001 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 47.7 m -72.09 -43.03 65.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.615 -0.72 . . . . 1.1499999999999999 111.358 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.779 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 10.0 mmpt? -73.83 -33.75 64.28 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 111.596 0.221 . . . . 1.97 111.596 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 23.6 t -60.57 -30.28 69.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.2 0.524 . . . . 1.74 110.076 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -81.55 -23.83 36.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 0.76000000000000001 111.833 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1877 ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' 1874 ' ' LYS . 7.8 p -109.4 -44.93 3.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.171 0.804 . . . . 1.71 113.171 -172.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1878 ' ' SER . . . . . 0.411 ' HA ' ' HD2' ' A' 1879 ' ' PRO . 6.7 t -152.57 101.77 2.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.761 -0.459 . . . . 1.4299999999999999 109.761 -174.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1879 ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' 1878 ' ' SER . 29.1 Cg_endo -63.13 -29.4 74.39 Favored 'Trans proline' 0 N--CA 1.467 -0.079 0 C-N-CA 122.929 2.419 . . . . 1.02 113.046 -175.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.04 -23.57 62.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.663 0.268 . . . . 2.2400000000000002 111.275 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.743 ' O ' ' HG ' ' A' 1885 ' ' LEU . 35.6 mm-40 -71.96 -12.62 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 1.8899999999999999 110.72 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.526 HD22 ' SD ' ' A' 1871 ' ' MET . 84.8 mt -72.3 -19.7 61.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.4 -0.363 . . . . 1.1399999999999999 110.729 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1883 ' ' GLY . . . . . 0.403 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -66.77 -55.59 16.55 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.831 -0.699 . . . . 0.42999999999999999 112.836 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' 1883 ' ' GLY . 10.2 Cg_endo -58.13 -37.59 94.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.276 1.984 . . . . 1.0 112.303 174.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.743 ' HG ' ' O ' ' A' 1881 ' ' GLU . 25.1 mt -67.17 -40.95 86.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.781 0.324 . . . . 1.0700000000000001 110.496 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1886 ' ' ALA . . . . . 0.57 ' HA ' HG11 ' A' 1931 ' ' VAL . . . -59.66 -30.2 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.365 0.602 . . . . 1.1000000000000001 110.196 177.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -73.54 -52.37 13.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.293 -0.867 . . . . 1.4299999999999999 110.751 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.14 -45.12 93.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.05 -0.523 . . . . 1.0700000000000001 112.109 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.15 -27.57 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.226 0.536 . . . . 1.05 110.383 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1890 ' ' THR . . . . . 0.533 ' OG1' ' HB3' ' A' 1827 ' ' MET . 49.2 m -81.07 -46.55 14.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.414 -0.812 . . . . 1.0800000000000001 111.417 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 78.1 p -66.29 -51.09 60.88 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.929 0.395 . . . . 1.72 111.058 -172.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.478 ' HA ' ' HB3' ' A' 1895 ' ' ARG . 2.5 m-20 -66.34 -25.47 66.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.914 -0.585 . . . . 0.80000000000000004 111.778 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 42.1 t80 -68.46 -43.51 76.85 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.659 -0.416 . . . . 1.05 110.254 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -70.3 -29.43 70.22 Favored Glycine 0 CA--C 1.504 -0.639 0 N-CA-C 109.771 -1.332 . . . . 0.34000000000000002 109.771 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.478 ' HB3' ' HA ' ' A' 1892 ' ' ASP . 39.4 ttt180 -62.36 -49.11 76.84 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 113.967 -1.116 . . . . 3.48 110.126 171.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.51 HD21 ' HB ' ' A' 1860 ' ' THR . 10.5 mt -57.96 -47.21 83.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.44 -0.345 . . . . 1.45 111.03 176.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -58.06 -25.71 61.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.753 -0.658 . . . . 1.1499999999999999 111.795 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 10.1 t -66.59 -45.31 79.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.628 -0.26 . . . . 1.8899999999999999 110.433 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.502 ' O ' ' HD2' ' A' 1902 ' ' PRO . 0.7 OUTLIER -77.6 -24.59 49.61 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.452 0.168 . . . . 1.5600000000000001 111.452 178.528 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.96 79.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.693 0.283 . . . . 1.0700000000000001 111.532 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.879 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 7.9 mtpm? -60.52 -58.84 16.39 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.339 -0.391 . . . . 2.8500000000000001 111.486 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.879 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 22.6 Cg_exo -65.87 -32.13 46.25 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.202 1.934 . . . . 0.87 112.641 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.44 93.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.368 . . . . 1.0700000000000001 110.952 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -67.52 -43.84 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 1.0800000000000001 111.492 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.904 HG12 ' HA2' ' A' 1844 ' ' GLY . 11.1 p -76.42 -31.54 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 116.303 -0.408 . . . . 1.9199999999999999 111.561 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -80.26 -8.56 59.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.009 0.433 . . . . 1.1699999999999999 110.57 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.1 143.37 52.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.7 -0.682 . . . . 1.23 110.422 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.11 -52.22 13.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.075 -0.512 . . . . 2.6699999999999999 110.779 -177.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.529 ' HB2' HG12 ' A' 1912 ' ' ILE . 2.8 m-20 -86.31 138.28 31.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.154 -0.475 . . . . 2.4900000000000002 110.356 178.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.59 -40.8 97.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.087 -0.506 . . . . 2.2400000000000002 110.24 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.17 -33.64 75.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.908 -0.587 . . . . 2.4900000000000002 110.864 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.529 HG12 ' HB2' ' A' 1909 ' ' ASN . 34.3 mm -68.13 -47.73 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.41 . . . . 1.3899999999999999 110.286 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.69 -41.36 99.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.619 -0.8 . . . . 0.57999999999999996 111.525 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1914 ' ' ALA . . . . . 0.447 ' O ' ' HG2' ' A' 1917 ' ' LYS . . . -61.79 -37.63 85.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.121 0.486 . . . . 1.22 110.77 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.471 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.8 t-160 -66.04 -40.36 90.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.726 -0.67 . . . . 2.1800000000000002 110.534 -177.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.53 HD11 ' HE1' ' A' 1850 ' ' PHE . 94.0 mt -63.54 -54.9 26.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 1.1299999999999999 110.975 178.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.673 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.1 ptmt -61.66 -34.43 75.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 1.8100000000000001 110.889 -175.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -71.86 -29.63 64.58 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.807 0.299 . . . . 2.52 111.807 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.802 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 28.7 mmt180 -76.61 -31.82 57.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.882 0.373 . . . . 3.1499999999999999 110.644 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' 1916 ' ' ILE . 21.3 t -71.54 -25.55 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.504 -0.554 . . . . 1.1200000000000001 109.504 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.673 ' HG2' ' O ' ' A' 1917 ' ' LYS . 23.7 mm-40 -63.34 -38.59 91.74 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.212 -0.662 . . . . 1.22 109.212 172.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.898 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 4.6 mt-10 -60.16 -51.62 68.8 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.518 -0.765 . . . . 1.49 109.757 176.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.17 -38.38 70.82 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.559 -0.746 . . . . 1.3700000000000001 110.299 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1924 ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -56.33 -52.18 51.43 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.842 -0.694 . . . . 0.64000000000000001 112.168 177.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -71.5 -38.45 71.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.684 0.278 . . . . 0.85999999999999999 110.948 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.45 -56.4 10.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.082 -0.58 . . . . 0.28000000000000003 112.642 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 73.5 m -60.33 -37.96 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 1.6599999999999999 110.438 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1928 ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' 1924 ' ' GLY . 15.1 t -59.81 -52.21 66.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.196 -0.457 . . . . 1.5 110.261 176.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.25 93.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 1.01 110.818 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.569 HD12 HG22 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.21 -53.07 62.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.76 -0.654 . . . . 1.0700000000000001 110.715 -178.716 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.57 HG11 ' HA ' ' A' 1886 ' ' ALA . 30.9 m -67.32 -33.47 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.953 -0.299 . . . . 1.0800000000000001 111.083 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.1 m -61.7 -46.67 88.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.028 0.442 . . . . 1.4099999999999999 110.156 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.65 -36.59 84.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.826 -0.625 . . . . 1.6799999999999999 111.001 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1934 ' ' ALA . . . . . 0.619 ' O ' ' HG3' ' A' 1938 ' ' GLN . . . -59.74 -47.15 86.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.56 0.219 . . . . 1.03 110.822 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.21 -43.8 96.9 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.628 -0.796 . . . . 0.42999999999999999 111.976 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.39 74.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 1.3100000000000001 111.084 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.534 ' O ' HD12 ' A' 1937 ' ' LEU . 2.7 tm? -73.78 -27.75 61.3 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.697 -0.483 . . . . 1.1200000000000001 109.697 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1938 ' ' GLN . . . . . 0.619 ' HG3' ' O ' ' A' 1934 ' ' ALA . 46.1 mt-30 -77.39 -26.5 51.83 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.212 0.53 . . . . 1.46 110.389 176.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 50.6 t -73.82 -35.98 64.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.439 -0.8 . . . . 2.3599999999999999 109.475 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 19.7 m -133.55 72.23 74.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.011 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.1 -11.43 32.21 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.73 2.287 . . . . 0.72999999999999998 112.378 -174.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 41.7 t -97.4 -5.38 36.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.31 -0.859 . . . . 1.95 110.963 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.44 114.51 22.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 1.1599999999999999 110.652 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 52.0 t -67.74 -32.18 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.772 -0.649 . . . . 1.96 110.613 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.421 ' O ' ' HG2' ' A' 1949 ' ' GLU . 66.1 t80 -59.02 -57.1 14.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 2.25 110.987 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.417 ' HB ' HD22 ' A' 1937 ' ' LEU . 19.4 m -61.66 -37.97 86.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.823 0.344 . . . . 1.1200000000000001 111.065 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' 1951 ' ' ILE . 39.5 ttpt -63.6 -44.85 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 1.8500000000000001 110.053 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.45 ' HB3' ' HE3' ' A' 1948 ' ' LYS . 17.4 ttpp -59.5 -45.21 92.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.99 -0.55 . . . . 3.1899999999999999 110.29 175.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' 1945 ' ' TYR . 46.3 mm-40 -54.81 -45.71 74.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.746 -0.661 . . . . 1.53 110.583 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.495 ' HG ' HD21 ' A' 1930 ' ' LEU . 9.5 tt -66.48 -40.68 89.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.297 -0.41 . . . . 1.0900000000000001 110.86 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' 1947 ' ' LYS . 81.4 mt -57.24 -42.06 79.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.175 0.512 . . . . 1.1100000000000001 110.115 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.623 ' O ' ' HG3' ' A' 1956 ' ' ARG . 82.8 mt-10 -72.73 -35.92 67.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.736 . . . . 2.1099999999999999 110.639 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.404 ' O ' HG22 ' A' 1957 ' ' VAL . 90.6 m -63.89 -36.7 84.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 1.6799999999999999 110.579 176.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.21 76.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 1.0800000000000001 111.287 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' 1952 ' ' GLU . 39.5 ptt180 -65.41 -27.17 68.35 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.706 -0.398 . . . . 3.7200000000000002 110.546 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.623 ' HG3' ' O ' ' A' 1952 ' ' GLU . 57.7 mtt180 -60.42 -56.8 17.03 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.983 0.42 . . . . 3.6299999999999999 109.912 174.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.772 ' HB ' HG23 ' A' 1868 ' ' VAL . 38.0 t -60.46 -39.2 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 1.0600000000000001 110.862 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 18.4 m -57.02 -35.43 69.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 1.6599999999999999 111.169 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' 1955 ' ' ARG . 58.6 mt-10 -76.17 -36.7 58.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.459 . . . . 1.8600000000000001 110.6 177.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.898 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.3 mmtt -65.55 -36.81 84.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.756 -0.656 . . . . 1.4199999999999999 110.574 -177.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.695 HG12 ' HB1' ' A' 1865 ' ' ALA . 60.5 t -56.57 -50.31 73.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.094 0.474 . . . . 1.0800000000000001 110.445 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 9.0 t -61.34 -35.6 77.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.44 -0.8 . . . . 1.54 110.223 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.802 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 19.1 m170 -62.79 -46.96 85.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 1.8899999999999999 111.077 177.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' 1960 ' ' LYS . 61.0 t -61.82 -48.64 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 1.1200000000000001 110.422 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.484 HD21 ' HB1' ' A' 1861 ' ' ALA . 91.3 mt -54.79 -49.66 70.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 1.0800000000000001 110.736 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.36 75.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 1.1200000000000001 111.393 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.23 90.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.799 0.333 . . . . 1.0900000000000001 110.878 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.6 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -68.34 -46.61 69.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.49 . . . . 1.1000000000000001 110.72 177.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.3 -20.76 64.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 1.7 111.277 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -69.56 -29.87 67.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.185 0.517 . . . . 1.46 110.606 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -83.83 0.17 89.59 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.844 -0.693 . . . . 2.0 112.128 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -144.55 85.1 1.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.255 0.55 . . . . 5.0099999999999998 110.319 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.374 -0.822 . . . . 8.1600000000000001 110.517 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.744 -0.542 . . . . 21.93 111.744 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 13.2 tt -139.87 131.52 33.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.982 0.42 . . . . 20.550000000000001 110.421 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -97.26 106.89 35.06 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.783 -0.644 . . . . 19.41 109.844 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -66.53 163.02 34.21 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.943 2.429 . . . . 18.440000000000001 112.504 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -80.07 -172.17 3.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.123 -0.489 . . . . 20.98 110.212 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 6.4 t -56.75 115.51 2.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.452 0.644 . . . . 16.809999999999999 110.988 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 3.1 p30 -106.02 107.11 17.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.638 0.733 . . . . 16.420000000000002 109.912 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.0 -20.59 61.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.07 -0.968 . . . . 14.41 111.577 -174.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -142.92 115.01 8.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.003 0.43 . . . . 12.27 111.386 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -98.78 -31.37 11.91 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.566 -0.902 . . . . 10.710000000000001 108.566 171.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 25.9 t -117.9 158.32 25.08 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.84 -1.073 . . . . 8.9499999999999993 108.19 172.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 62.57 20.58 12.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.301 0.572 . . . . 7.1900000000000004 110.658 -175.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -97.89 162.54 13.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.583 -0.735 . . . . 5.0 110.324 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -82.36 37.96 2.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.006 -0.616 . . . . 4.2199999999999998 112.713 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 19.0 m -107.71 -40.69 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.71 0.29 . . . . 2.7200000000000002 110.663 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.748 ' HA ' ' HE1' ' A' 1827 ' ' MET . 57.1 t -148.24 -38.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.988 -0.551 . . . . 1.9199999999999999 110.509 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -51.79 126.07 28.26 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 121.139 -0.553 . . . . 2.1000000000000001 112.066 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 114.29 -62.26 0.33 Allowed Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.847 -0.692 . . . . 1.3899999999999999 111.431 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.748 ' HE1' ' HA ' ' A' 1824 ' ' VAL . 24.9 ptt? -74.36 -24.95 59.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 1.79 110.441 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.2 p -64.02 -27.13 42.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.922 0.391 . . . . 1.28 110.703 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.63 -36.25 83.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 0.87 110.346 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 72.5 m -59.8 -29.47 68.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.84 -0.618 . . . . 1.3500000000000001 110.804 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 68.1 mt -70.68 -47.85 61.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.212 -0.449 . . . . 1.0900000000000001 110.358 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 17.2 m -68.1 -40.66 82.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 1.1399999999999999 111.051 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -65.89 -31.78 72.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.658 0.266 . . . . 3.02 110.648 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.503 ' HB3' ' CB ' ' A' 1897 ' ' ALA . . . -63.53 -27.95 69.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.064 0.459 . . . . 1.0600000000000001 110.728 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.67 -54.6 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.822 -0.627 . . . . 1.1899999999999999 109.959 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -65.6 -36.61 84.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.41 -0.814 . . . . 0.80000000000000004 112.091 -174.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1837 ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' 1834 ' ' ALA . 26.1 pt20 -59.25 -33.96 71.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.633 0.254 . . . . 1.0 111.433 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.11 -30.77 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.48 -0.327 . . . . 1.25 111.235 -176.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.14 -35.43 18.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.299 -0.41 . . . . 1.79 110.547 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -73.25 -65.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.168 -0.469 . . . . 3.25 111.284 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -129.26 101.29 0.53 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.517 -0.849 . . . . 2.2799999999999998 112.67 -175.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.95 -54.34 0.55 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.781 2.321 . . . . 3.0899999999999999 112.521 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 54.9 ttm 63.54 -80.82 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.076 0.55 . . . . 5.5099999999999998 111.161 -176.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1844 ' ' GLY . . . . . 0.515 ' HA3' HG22 ' A' 1905 ' ' VAL . . . 77.55 -98.54 1.41 Allowed Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 121.1 -0.571 . . . . 2.1499999999999999 112.555 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 34.1 t70 47.35 68.28 3.66 Favored Pre-proline 0 N--CA 1.466 0.326 0 CA-C-O 121.159 0.504 . . . . 3.0800000000000001 110.623 -174.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.401 ' HG3' ' HB2' ' A' 1906 ' ' ALA . 61.3 Cg_endo -72.93 131.72 17.32 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.694 2.263 . . . . 1.3 113.013 -173.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -78.97 -29.86 44.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.941 -0.572 . . . . 2.8199999999999998 110.285 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -109.39 -179.33 21.18 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.712 -0.756 . . . . 1.21 112.22 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1849 ' ' SER . . . . . 0.454 ' HB2' HG13 ' A' 1851 ' ' VAL . 5.1 m -84.26 173.31 11.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.014 -0.365 . . . . 1.9399999999999999 110.014 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.493 ' HE1' HD13 ' A' 1916 ' ' ILE . 54.5 t80 -59.07 -40.71 86.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 0.89000000000000001 110.346 176.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1851 ' ' VAL . . . . . 0.454 HG13 ' HB2' ' A' 1849 ' ' SER . 7.3 p -59.28 -33.12 49.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.181 -0.463 . . . . 1.3400000000000001 111.509 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.73 -50.53 35.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.038 0.447 . . . . 1.71 110.551 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.4 -34.35 77.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 1.4299999999999999 110.347 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.686 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.8 tt0 -55.54 -57.23 12.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 1.21 110.243 173.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 27.4 m -57.57 -37.14 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 2.1099999999999999 111.091 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 29.8 m -72.79 -52.17 16.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.142 -0.481 . . . . 1.1899999999999999 111.262 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.3 mtp -64.61 -38.44 91.01 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.32 0.489 . . . . 1.1000000000000001 112.32 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.64 ' O ' ' HG2' ' A' 1862 ' ' LYS . 31.0 m -62.65 -35.71 71.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.183 -0.607 . . . . 1.0700000000000001 110.733 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -71.42 -38.88 71.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.984 0.421 . . . . 3.6299999999999999 110.733 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.611 ' HB ' HD23 ' A' 1896 ' ' LEU . 6.1 m -69.13 -36.09 77.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.18 -0.463 . . . . 1.1100000000000001 110.495 179.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.61 ' HB1' HD22 ' A' 1965 ' ' LEU . . . -63.64 -36.1 82.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 1.0900000000000001 110.976 177.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.64 ' HG2' ' O ' ' A' 1858 ' ' VAL . 68.9 mmtt -58.99 -40.8 85.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.235 0.54 . . . . 1.8799999999999999 110.148 176.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.81 81.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.349 -0.842 . . . . 1.1499999999999999 111.616 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.756 HD12 HG22 ' A' 1961 ' ' VAL . 1.2 pp -79.11 -31.42 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.304 -0.558 . . . . 1.0800000000000001 110.014 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.822 ' HB3' HG12 ' A' 1961 ' ' VAL . . . -70.77 -41.4 71.75 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.47 -0.332 . . . . 0.98999999999999999 111.434 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 13.2 p -66.17 -28.83 44.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 1.45 109.953 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 87.4 m -73.39 -46.86 46.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 1.0600000000000001 111.174 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.768 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.3 p -67.96 -31.43 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 1.05 110.785 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.579 ' O ' HG13 ' A' 1872 ' ' VAL . 0.0 OUTLIER -74.52 -26.99 60.34 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.358 -0.608 . . . . 0.91000000000000003 109.358 176.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.476 ' HG3' ' CG ' ' A' 1874 ' ' LYS . 6.3 tp10 -74.6 -28.34 60.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.038 -0.528 . . . . 0.56999999999999995 110.08 178.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.538 ' SD ' HD21 ' A' 1882 ' ' LEU . 8.3 mmt -55.62 -45.39 77.56 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.873 -0.603 . . . . 1.25 111.523 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.582 HG22 HG21 ' A' 1951 ' ' ILE . 9.7 p -65.04 -32.03 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.459 0.647 . . . . 1.27 110.778 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1873 ' ' THR . . . . . 0.49 ' O ' HG23 ' A' 1877 ' ' THR . 88.4 m -80.17 -54.99 5.24 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.351 -0.84 . . . . 1.1499999999999999 110.661 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.795 ' HG3' HD11 ' A' 1885 ' ' LEU . 8.9 mmpt? -59.33 -40.47 86.43 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.167 -0.47 . . . . 1.97 111.493 -177.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 9.6 t -59.56 -24.9 64.1 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.122 0.487 . . . . 1.74 110.875 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -82.03 -43.16 18.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.605 . . . . 0.76000000000000001 112.141 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1877 ' ' THR . . . . . 0.49 HG23 ' O ' ' A' 1873 ' ' THR . 1.5 t -108.81 -25.1 10.97 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.395 0.887 . . . . 1.71 113.395 -169.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 22.7 m -158.06 76.44 3.67 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.109 -0.33 . . . . 1.4299999999999999 110.109 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.14 -17.66 59.42 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.73 2.287 . . . . 1.02 112.886 -175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.17 -17.91 61.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.832 0.349 . . . . 2.2400000000000002 111.178 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.573 ' O ' ' HG ' ' A' 1885 ' ' LEU . 22.6 mt-10 -81.77 -9.77 59.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 1.8899999999999999 110.922 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.538 HD21 ' SD ' ' A' 1871 ' ' MET . 95.0 mt -67.27 -34.04 76.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 1.1399999999999999 111.197 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -59.63 -54.45 37.61 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 121.172 -0.537 . . . . 0.42999999999999999 112.841 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.87 -39.14 78.99 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.863 2.376 . . . . 1.0 112.489 172.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.795 HD11 ' HG3' ' A' 1874 ' ' LYS . 77.9 mt -68.74 -45.24 71.99 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.467 -0.333 . . . . 1.0700000000000001 110.589 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.07 -31.14 64.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.115 -0.493 . . . . 1.1000000000000001 109.777 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -72.98 -49.92 26.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.713 -0.676 . . . . 1.4299999999999999 110.758 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.57 -42.2 92.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.506 -0.316 . . . . 1.0700000000000001 110.704 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.491 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.9 tp -55.21 -44.4 75.35 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.697 -0.483 . . . . 1.05 109.697 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 43.2 m -62.49 -48.8 77.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.406 -0.816 . . . . 1.0800000000000001 111.013 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 8.5 t -64.31 -51.68 62.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.541 -0.754 . . . . 1.72 111.508 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.448 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 5.0 m-20 -67.2 -34.97 78.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.596 -0.274 . . . . 0.80000000000000004 111.374 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 67.3 t80 -63.2 -44.12 96.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 1.05 110.429 176.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.22 -35.48 78.14 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.983 -0.627 . . . . 0.34000000000000002 111.854 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 91.0 mtt180 -66.83 -49.82 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.0 -0.37 . . . . 3.48 110.0 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.611 HD23 ' HB ' ' A' 1860 ' ' THR . 20.0 mt -57.07 -44.14 82.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.114 -0.494 . . . . 1.45 111.568 177.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1897 ' ' ALA . . . . . 0.503 ' CB ' ' HB3' ' A' 1834 ' ' ALA . . . -60.43 -31.11 70.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.995 -0.548 . . . . 1.1499999999999999 111.522 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 23.2 t -74.87 -47.89 27.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.89 0.376 . . . . 1.8899999999999999 110.152 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.444 ' O ' ' HD2' ' A' 1902 ' ' PRO . 71.0 mt-30 -66.31 -24.93 66.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 1.5600000000000001 111.528 -176.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.37 -29.71 70.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 1.0700000000000001 111.894 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.838 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 99.3 mttt -65.06 -60.05 8.79 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.794 -0.184 . . . . 2.8500000000000001 111.312 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.838 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 25.5 Cg_exo -63.92 -31.57 66.95 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.858 1.705 . . . . 0.87 111.945 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.55 96.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.771 0.319 . . . . 1.0700000000000001 110.8 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1904 ' ' ALA . . . . . 0.416 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -63.63 -41.17 98.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 1.0800000000000001 111.001 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.515 HG22 ' HA3' ' A' 1844 ' ' GLY . 45.4 t -75.52 -34.69 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.05 -0.523 . . . . 1.9199999999999999 111.07 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1906 ' ' ALA . . . . . 0.451 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -81.22 -12.07 59.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 1.1699999999999999 111.775 -177.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1907 ' ' ALA . . . . . 0.458 ' HA ' ' CD1' ' A' 1850 ' ' PHE . . . -57.46 141.76 46.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 1.23 111.42 -177.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -64.26 -25.31 68.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 2.6699999999999999 110.738 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.47 ' HB3' HG12 ' A' 1912 ' ' ILE . 40.8 t30 -131.45 134.65 46.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.638 -0.71 . . . . 2.4900000000000002 109.229 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.4 -44.8 95.33 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.669 0.271 . . . . 2.2400000000000002 111.479 -174.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.85 -26.75 67.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 2.4900000000000002 111.114 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.523 HG13 ' HA2' ' A' 1971 ' ' GLY . 43.0 mm -69.49 -40.5 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.754 -0.462 . . . . 1.3899999999999999 109.754 175.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1913 ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -62.2 -44.09 98.2 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.83 -0.7 . . . . 0.57999999999999996 111.458 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.99 93.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.273 0.559 . . . . 1.22 110.141 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.537 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.3 t-160 -61.72 -41.03 97.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.321 -0.854 . . . . 2.1800000000000002 110.346 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.493 HD13 ' HE1' ' A' 1850 ' ' PHE . 85.0 mt -63.78 -54.97 25.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 1.1299999999999999 111.3 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' 1921 ' ' GLN . 12.2 ptmm? -64.44 -31.44 72.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 1.8100000000000001 111.14 -174.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -73.52 -26.94 61.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.472 -0.331 . . . . 2.52 110.518 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.652 ' HB3' HG22 ' A' 1964 ' ' VAL . 28.4 mmt180 -74.97 -30.24 61.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.798 0.332 . . . . 3.1499999999999999 110.86 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.401 HG11 ' HA ' ' A' 1897 ' ' ALA . 42.4 t -69.18 -30.56 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.514 -0.55 . . . . 1.1200000000000001 109.514 174.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' 1917 ' ' LYS . 18.4 mm-40 -63.61 -41.18 98.33 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.373 -0.603 . . . . 1.22 109.373 174.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.949 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 38.2 mm-40 -55.11 -49.29 72.1 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.045 -0.98 . . . . 1.49 110.156 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.4 ' HA ' HD22 ' A' 1923 ' ' LEU . 13.1 mt -62.94 -42.43 99.81 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.349 -0.841 . . . . 1.3700000000000001 111.229 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.84 -51.6 38.71 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.032 -0.604 . . . . 0.64000000000000001 112.621 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -60.43 -37.31 80.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.779 0.323 . . . . 0.85999999999999999 111.213 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1926 ' ' GLY . . . . . 0.582 ' HA3' HG23 ' A' 1957 ' ' VAL . . . -76.49 -52.42 6.04 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.69 -0.767 . . . . 0.28000000000000003 112.476 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 85.8 m -58.0 -43.98 86.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 122.302 0.241 . . . . 1.6599999999999999 111.62 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 16.4 m -56.1 -46.15 79.18 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.111 0.481 . . . . 1.5 110.786 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.29 72.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 1.01 111.188 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.661 HD13 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.56 -51.29 69.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.928 -0.578 . . . . 1.0700000000000001 111.133 -176.617 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 28.6 m -65.76 -32.35 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 1.0800000000000001 110.716 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 68.3 m -69.97 -39.5 75.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 1.4099999999999999 110.793 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.457 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 34.7 tptt -70.65 -39.34 73.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.291 -0.413 . . . . 1.6799999999999999 110.489 -178.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.44 89.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 1.03 111.466 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.32 -37.43 91.91 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.797 -0.716 . . . . 0.42999999999999999 112.103 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -80.47 -27.35 37.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.856 0.36 . . . . 1.3100000000000001 110.869 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.466 HD13 HD13 ' A' 1882 ' ' LEU . 2.8 tm? -73.87 -36.05 64.79 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 116.256 -0.429 . . . . 1.1200000000000001 110.065 -177.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.72 -26.08 67.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.143 0.497 . . . . 1.46 110.888 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 65.5 m -77.39 -18.89 56.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.79 -0.641 . . . . 2.3599999999999999 110.458 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 7.1 m -141.51 59.76 10.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 1.0 109.686 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.77 7.48 2.75 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.701 2.267 . . . . 0.72999999999999998 113.973 -169.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 25.0 t -119.99 -0.65 10.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.227 0.536 . . . . 1.95 109.874 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -78.93 140.12 38.13 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.923 -0.58 . . . . 1.1599999999999999 110.682 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 16.9 m -85.2 -41.7 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.208 -0.451 . . . . 1.96 112.024 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.64 -48.22 75.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 2.25 111.197 -175.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 14.0 m -65.07 -40.28 94.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.073 -0.512 . . . . 1.1200000000000001 110.881 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -67.02 -41.84 85.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 1.8500000000000001 110.42 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -51.8 -48.4 63.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.671 -0.695 . . . . 3.1899999999999999 111.006 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.457 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 31.4 mt-10 -65.54 -35.6 81.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.925 -0.58 . . . . 1.53 111.638 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.0 tt -68.92 -36.87 78.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.908 -0.404 . . . . 1.0900000000000001 109.908 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.582 HG21 HG22 ' A' 1872 ' ' VAL . 96.7 mt -60.9 -43.41 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.06 0.457 . . . . 1.1100000000000001 109.807 173.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' 1956 ' ' ARG . 9.3 mm-40 -60.81 -50.47 73.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.69 -0.686 . . . . 2.1099999999999999 110.378 176.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.573 ' O ' HG21 ' A' 1957 ' ' VAL . 33.8 t -59.88 -41.23 91.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.07 -0.514 . . . . 1.6799999999999999 110.744 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.37 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 1.0800000000000001 111.568 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' A' 1959 ' ' GLU . 35.7 ptt85 -69.74 -24.6 63.56 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.661 -0.416 . . . . 3.7200000000000002 110.799 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' 1952 ' ' GLU . 85.6 mtt180 -75.54 -41.67 54.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.526 -0.306 . . . . 3.6299999999999999 111.165 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.768 ' HB ' HG21 ' A' 1868 ' ' VAL . 88.0 t -64.91 -40.48 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.931 0.396 . . . . 1.0600000000000001 110.536 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 50.8 m -56.92 -31.4 64.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.555 . . . . 1.6599999999999999 111.863 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.511 ' HG3' ' O ' ' A' 1955 ' ' ARG . 48.1 mt-10 -73.85 -24.95 59.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.309 0.576 . . . . 1.8600000000000001 110.517 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.949 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 75.1 mmtt -76.32 -41.08 49.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 1.4199999999999999 110.012 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.822 HG12 ' HB3' ' A' 1865 ' ' ALA . 12.1 t -57.86 -45.4 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 1.0800000000000001 111.186 -177.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 22.4 p -62.77 -31.34 72.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 1.54 110.661 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.478 ' HB3' ' NE ' ' A' 1919 ' ' ARG . 60.1 m170 -76.0 -39.29 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 1.8899999999999999 110.51 176.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.652 HG22 ' HB3' ' A' 1919 ' ' ARG . 64.9 t -59.77 -51.1 76.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.926 -0.398 . . . . 1.1200000000000001 109.926 176.368 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.61 HD22 ' HB1' ' A' 1861 ' ' ALA . 84.1 mt -57.39 -45.45 84.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.704 -0.68 . . . . 1.0800000000000001 110.967 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.86 70.2 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.843 -0.617 . . . . 1.1200000000000001 112.028 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.89 -28.31 69.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 1.0900000000000001 111.041 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.686 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.5 mm? -72.81 -48.88 34.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 1.1000000000000001 111.564 -179.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -73.34 -18.95 61.13 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.851 -0.34 . . . . 1.7 110.705 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -66.58 -23.36 66.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.45 . . . . 1.46 110.402 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1971 ' ' GLY . . . . . 0.523 ' HA2' HG13 ' A' 1912 ' ' ILE . . . -69.47 -22.97 76.68 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.944 -0.571 . . . . 2.0 112.455 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 15.4 m120 62.38 84.84 0.13 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.074 0.464 . . . . 5.0099999999999998 111.113 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1973 ' ' ARG . . . . . 0.5 ' HA ' ' NE ' ' A' 1973 ' ' ARG . 4.7 tpm_? . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.579 -0.724 . . . . 8.1600000000000001 109.919 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 111.952 -0.459 . . . . 21.93 111.952 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1810 ' ' ILE . . . . . 0.5 ' O ' ' HD3' ' A' 1812 ' ' PRO . 51.4 mm -75.48 -25.5 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.252 0.549 . . . . 20.550000000000001 109.771 177.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -104.5 96.3 9.97 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 19.41 109.322 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1812 ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' 1810 ' ' ILE . 23.1 Cg_exo -64.11 -68.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.882 2.388 . . . . 18.440000000000001 112.578 -175.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -142.39 87.9 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.336 -0.393 . . . . 20.98 110.358 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 11.4 t -69.25 114.25 7.34 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.169 -0.678 . . . . 16.809999999999999 109.169 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 7.1 t30 -88.39 99.43 12.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.977 -0.556 . . . . 16.420000000000002 110.771 -175.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -96.63 102.5 14.29 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.352 -0.61 . . . . 14.41 109.352 174.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -102.71 173.2 6.44 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.833 -0.621 . . . . 12.27 110.679 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -87.7 106.02 17.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.597 -0.52 . . . . 10.710000000000001 109.597 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 23.4 t -163.03 119.43 1.83 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 8.9499999999999993 110.421 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -81.52 -4.89 57.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 7.1900000000000004 110.803 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -81.24 105.67 12.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.138 -0.483 . . . . 5.0 110.666 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -88.87 11.38 69.19 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.014 -0.612 . . . . 4.2199999999999998 112.043 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1823 ' ' VAL . . . . . 0.543 HG11 ' H ' ' A' 1824 ' ' VAL . 2.5 p -114.31 -105.62 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 119.067 -0.492 . . . . 2.7200000000000002 110.081 177.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.543 ' H ' HG11 ' A' 1823 ' ' VAL . 82.1 t -148.33 -79.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 118.893 0.769 . . . . 1.9199999999999999 110.207 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1825 ' ' GLY . . . . . 0.66 ' O ' HG13 ' A' 1828 ' ' VAL . . . 54.67 -106.34 0.5 Allowed Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.178 -0.464 . . . . 2.1000000000000001 113.228 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -59.1 -24.39 58.48 Favored Glycine 0 N--CA 1.454 -0.148 0 C-N-CA 121.26 -0.495 . . . . 1.3899999999999999 112.962 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.593 ' HE1' ' HA ' ' A' 1887 ' ' ASN . 28.0 mtp -63.68 -39.59 94.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.779 -0.21 . . . . 1.79 111.543 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1828 ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' 1825 ' ' GLY . 8.2 p -68.76 -31.36 50.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.146 0.498 . . . . 1.28 109.741 -178.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.41 -42.13 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.679 -0.691 . . . . 0.87 110.119 174.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 23.3 m -63.53 -36.37 83.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 1.3500000000000001 110.996 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.432 HG22 ' CE2' ' A' 1893 ' ' TYR . 66.9 mt -66.66 -47.4 83.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.98 0.419 . . . . 1.0900000000000001 110.342 177.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 37.2 m -62.56 -37.04 84.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 1.1399999999999999 110.754 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.29 -41.19 98.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 3.02 110.014 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' 1837 ' ' GLN . . . -61.11 -35.68 77.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.561 . . . . 1.0600000000000001 110.997 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1835 ' ' ILE . . . . . 0.467 ' HA ' HE22 ' A' 1921 ' ' GLN . 46.7 mt -62.57 -48.63 87.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.296 -0.411 . . . . 1.1899999999999999 110.002 175.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -67.06 -38.15 85.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.493 -0.776 . . . . 0.80000000000000004 112.142 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1837 ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.3 pt20 -65.65 -33.36 75.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 1.0 110.542 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.513 HD23 ' HG2' ' A' 1901 ' ' LYS . 84.2 mt -77.16 -40.58 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 1.25 110.481 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -70.89 -27.31 63.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.559 -0.746 . . . . 1.79 110.523 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.77 -56.68 17.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.706 -0.679 . . . . 3.25 110.582 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -177.16 162.4 30.51 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.943 -0.646 . . . . 2.2799999999999998 111.729 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1842 ' ' PRO . . . . . 0.51 ' O ' ' HB3' ' A' 1901 ' ' LYS . 59.3 Cg_endo -77.39 -88.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.266 1.978 . . . . 3.0899999999999999 112.44 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1843 ' ' MET . . . . . 0.542 ' HB3' ' HA ' ' A' 1902 ' ' PRO . 13.2 tpt 173.17 163.65 0.14 Allowed 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.697 -0.853 . . . . 5.5099999999999998 108.697 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -133.79 137.78 9.59 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.163 -0.775 . . . . 2.1499999999999999 111.163 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 34.4 t70 59.23 75.62 0.5 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.513 0.673 . . . . 3.0800000000000001 110.525 -173.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.7 173.95 13.5 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.787 2.324 . . . . 1.3 111.893 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -75.42 -71.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.794 -0.447 . . . . 2.8199999999999998 109.794 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -94.61 -172.21 37.87 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.807 -0.711 . . . . 1.21 111.651 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 37.7 m -96.55 -170.05 2.0 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.068 -0.345 . . . . 1.9399999999999999 110.068 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.567 ' HE1' HD13 ' A' 1916 ' ' ILE . 86.8 t80 -58.2 -42.59 86.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.91 -0.132 . . . . 0.89000000000000001 111.255 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 8.9 p -61.85 -33.8 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 1.3400000000000001 111.4 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.35 -48.4 70.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.128 0.49 . . . . 1.71 110.604 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -73.16 -34.48 66.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 1.4299999999999999 110.669 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.651 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 57.0 tt0 -56.61 -57.09 13.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.469 -0.332 . . . . 1.21 110.922 177.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 15.8 p -60.55 -31.0 70.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 2.1099999999999999 111.23 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 88.5 m -73.12 -51.68 17.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.38 -0.373 . . . . 1.1899999999999999 110.866 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 87.9 mtp -65.23 -42.42 93.4 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.327 0.491 . . . . 1.1000000000000001 112.327 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.712 ' O ' ' HG3' ' A' 1862 ' ' LYS . 18.9 m -62.93 -31.37 52.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.306 0 C-N-CA 120.123 -0.631 . . . . 1.0700000000000001 110.748 -177.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -73.18 -43.64 61.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 3.6299999999999999 110.626 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 13.4 m -67.23 -33.11 74.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 1.1100000000000001 110.684 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.68 -42.87 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 1.0900000000000001 110.89 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.712 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.8 mttt -62.65 -32.34 73.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.138 0.494 . . . . 1.8799999999999999 110.329 176.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.64 84.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.763 -0.653 . . . . 1.1499999999999999 111.25 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.768 HD11 HG23 ' A' 1961 ' ' VAL . 1.2 pp -78.58 -29.15 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.1 -0.64 . . . . 1.0800000000000001 109.838 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.795 ' HB1' HG12 ' A' 1961 ' ' VAL . . . -68.99 -43.39 74.97 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.336 -0.393 . . . . 0.98999999999999999 111.266 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.43 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 11.0 p -65.85 -25.38 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.226 0.536 . . . . 1.45 110.123 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 95.8 m -76.85 -47.67 20.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.013 -0.539 . . . . 1.0600000000000001 111.147 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.714 HG23 HD11 ' A' 1930 ' ' LEU . 3.7 p -66.78 -34.61 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.869 0.366 . . . . 1.05 110.676 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.562 ' O ' HG11 ' A' 1872 ' ' VAL . 0.0 OUTLIER -70.75 -26.0 63.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.644 -0.502 . . . . 0.91000000000000003 109.644 176.532 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.435 ' HG3' ' CG ' ' A' 1874 ' ' LYS . 8.6 tp10 -75.77 -31.21 59.41 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.695 -0.483 . . . . 0.56999999999999995 109.695 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.537 ' SD ' HD22 ' A' 1882 ' ' LEU . 8.5 mmt -55.06 -47.77 74.37 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.891 -0.595 . . . . 1.25 111.592 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.766 HG23 HG23 ' A' 1951 ' ' ILE . 10.0 p -64.43 -31.71 54.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.376 0.608 . . . . 1.27 110.709 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 96.4 m -79.12 -51.54 9.4 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.494 -0.775 . . . . 1.1499999999999999 110.923 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.718 ' HG3' HD13 ' A' 1885 ' ' LEU . 8.5 mmpt? -63.63 -29.79 70.99 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.145 -0.48 . . . . 1.97 111.783 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.485 ' HB3' ' HG3' ' A' 1947 ' ' LYS . 50.3 m -62.32 -26.59 68.52 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.948 -0.701 . . . . 1.74 110.587 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -82.48 -33.02 28.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.883 -0.598 . . . . 0.76000000000000001 111.485 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 20.0 p -108.34 -45.36 3.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.171 0.804 . . . . 1.71 113.171 -172.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 69.0 m -146.68 81.32 9.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.593 0.235 . . . . 1.4299999999999999 110.97 -169.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.47 -23.36 76.55 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.676 2.251 . . . . 1.02 112.948 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.72 -18.22 61.02 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.12 -0.232 . . . . 2.2400000000000002 111.54 -177.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' 1885 ' ' LEU . 37.4 mt-10 -81.39 -10.54 59.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.06 -0.256 . . . . 1.8899999999999999 111.318 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.537 HD22 ' SD ' ' A' 1871 ' ' MET . 90.6 mt -64.62 -33.97 77.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.578 0.228 . . . . 1.1399999999999999 111.005 -177.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.53 -54.81 31.24 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.965 -0.636 . . . . 0.42999999999999999 112.912 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.436 ' HD2' ' C ' ' A' 1881 ' ' GLU . 54.8 Cg_exo -55.16 -34.57 88.22 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.625 2.217 . . . . 1.0 112.741 172.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.718 HD13 ' HG3' ' A' 1874 ' ' LYS . 69.6 mt -71.87 -43.96 64.57 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.03 -0.268 . . . . 1.0700000000000001 110.393 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.95 71.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.6 -0.519 . . . . 1.1000000000000001 109.6 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1887 ' ' ASN . . . . . 0.593 ' HA ' ' HE1' ' A' 1827 ' ' MET . 3.6 m-80 -60.3 -53.77 53.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.149 -0.932 . . . . 1.4299999999999999 111.328 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -67.56 -43.53 80.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.456 -0.338 . . . . 1.0700000000000001 110.944 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.476 HD13 ' HB ' ' A' 1864 ' ' ILE . 52.1 tp -54.51 -40.5 68.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.009 0.433 . . . . 1.05 110.17 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1890 ' ' THR . . . . . 0.411 HG21 ' HB3' ' A' 1827 ' ' MET . 53.7 m -65.73 -47.14 76.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.637 -0.711 . . . . 1.0800000000000001 111.053 177.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 12.8 t -68.98 -49.89 53.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.097 -0.502 . . . . 1.72 111.359 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -64.57 -32.32 73.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.80000000000000004 110.834 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1893 ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 42.6 t80 -62.59 -44.54 96.06 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.711 -0.396 . . . . 1.05 110.031 173.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.11 -32.44 63.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.084 -0.579 . . . . 0.34000000000000002 112.052 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' 1899 ' ' GLN . 65.1 mtp180 -67.94 -46.14 72.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.968 -0.382 . . . . 3.48 109.968 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1896 ' ' LEU . . . . . . . . . . . . . 64.7 mt -57.67 -46.12 84.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 1.45 110.752 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -66.8 -26.21 66.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.031 -0.531 . . . . 1.1499999999999999 111.051 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 24.5 t -72.5 -39.71 67.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.219 -0.446 . . . . 1.8899999999999999 110.251 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' 1895 ' ' ARG . 47.6 mm-40 -77.44 -36.16 53.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 1.5600000000000001 110.608 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -59.31 -33.29 70.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.832 0.678 . . . . 1.0700000000000001 112.832 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.873 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 8.6 mtpm? -60.51 -60.24 11.26 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 121.055 -0.258 . . . . 2.8500000000000001 111.087 -178.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.873 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 15.6 Cg_exo -69.75 -29.36 24.01 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.877 1.718 . . . . 0.87 112.289 176.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.51 -35.36 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.772 0.32 . . . . 1.0700000000000001 111.058 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1904 ' ' ALA . . . . . 0.431 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -61.59 -46.09 91.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 1.0800000000000001 111.207 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.411 HG11 ' O ' ' A' 1902 ' ' PRO . 9.9 p -76.67 -26.49 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.943 0.402 . . . . 1.9199999999999999 110.949 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.32 -18.24 59.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 1.1699999999999999 111.125 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -66.73 156.54 35.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.494 -0.321 . . . . 1.23 110.897 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -77.6 -17.46 57.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.051 -0.522 . . . . 2.6699999999999999 110.795 -175.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 41.4 t30 -139.7 137.82 35.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.55 . . . . 2.4900000000000002 110.221 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -54.02 -40.05 66.69 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.583 0.552 . . . . 2.2400000000000002 111.01 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1911 ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' A' 1915 ' ' HIS . 43.0 mt-10 -60.3 -39.04 85.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 2.4900000000000002 111.016 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.465 ' O ' HG13 ' A' 1916 ' ' ILE . 46.0 mm -67.08 -45.34 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.209 -0.45 . . . . 1.3899999999999999 109.98 178.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1913 ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.87 -44.8 97.35 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.808 -0.71 . . . . 0.57999999999999996 111.692 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1914 ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' 1917 ' ' LYS . . . -59.67 -42.54 93.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.16 0.505 . . . . 1.22 110.234 175.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.411 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.3 t-80 -60.08 -43.01 95.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.272 -0.876 . . . . 2.1800000000000002 110.192 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.567 HD13 ' HE1' ' A' 1850 ' ' PHE . 86.3 mt -61.06 -56.22 19.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 1.1299999999999999 111.22 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.61 ' O ' ' HG2' ' A' 1921 ' ' GLN . 9.9 ptpt -64.06 -38.59 91.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 1.8100000000000001 111.162 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -69.09 -30.95 69.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.581 0.229 . . . . 2.52 111.056 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.717 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 1.6 mmp_? -78.12 -24.7 47.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.849 0.357 . . . . 3.1499999999999999 110.696 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' 1916 ' ' ILE . 61.8 t -73.94 -28.88 24.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.277 0.561 . . . . 1.1200000000000001 109.494 173.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.2 mm-40 -62.0 -31.45 71.82 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.987 -0.552 . . . . 1.22 109.91 174.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.515 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 37.3 mm-40 -55.56 -53.88 50.95 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.776 -0.647 . . . . 1.49 110.349 177.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.677 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.0 mt -66.97 -29.64 69.55 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.53 -0.544 . . . . 1.3700000000000001 109.53 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1924 ' ' GLY . . . . . 0.434 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -57.04 -33.7 64.66 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.577 -0.82 . . . . 0.64000000000000001 111.978 176.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -94.71 -42.57 8.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.741 0.305 . . . . 0.85999999999999999 110.435 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -70.61 -53.11 13.13 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.167 -0.47 . . . . 0.28000000000000003 113.06 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.677 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 92.4 m -62.7 -34.81 77.91 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.194 -0.299 . . . . 1.6599999999999999 110.194 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1928 ' ' SER . . . . . 0.434 ' HB2' ' O ' ' A' 1924 ' ' GLY . 23.1 t -56.49 -50.31 72.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.302 0.572 . . . . 1.5 109.841 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.31 86.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.402 -0.817 . . . . 1.01 110.83 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.714 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.61 -53.63 55.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 1.0700000000000001 110.744 -178.255 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.6 m -64.25 -39.19 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 1.0800000000000001 110.564 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 95.1 m -62.8 -40.98 99.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.12 0.486 . . . . 1.4099999999999999 110.57 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.574 ' HE3' HG22 ' A' 1946 ' ' THR . 42.9 tptt -67.52 -39.55 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.797 -0.638 . . . . 1.6799999999999999 110.262 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -57.29 -45.55 84.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 1.03 111.157 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1935 ' ' GLY . . . . . 0.416 ' CA ' HG23 ' A' 1823 ' ' VAL . . . -59.49 -41.96 97.39 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.755 -0.736 . . . . 0.42999999999999999 112.182 177.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.06 65.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.879 0.371 . . . . 1.3100000000000001 110.874 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.08 -42.81 62.61 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.66 -0.496 . . . . 1.1200000000000001 109.66 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.7 -24.88 67.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.927 0.394 . . . . 1.46 111.5 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 99.3 m -67.59 -31.76 72.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.016 -0.538 . . . . 2.3599999999999999 110.667 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.6 m -151.8 72.06 8.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.84 -22.56 18.25 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.511 2.808 . . . . 0.72999999999999998 113.332 -176.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 47.8 m -70.15 -20.88 63.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.948 -0.569 . . . . 1.95 112.144 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.48 113.7 8.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.418 . . . . 1.1599999999999999 110.889 -174.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 41.4 t -71.04 -39.51 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.556 . . . . 1.96 110.989 -176.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.476 ' O ' ' HG3' ' A' 1949 ' ' GLU . 43.1 t80 -62.33 -50.26 72.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.5 . . . . 2.25 110.585 -176.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.574 HG22 ' HE3' ' A' 1933 ' ' LYS . 31.7 m -62.37 -40.84 97.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.081 -0.509 . . . . 1.1200000000000001 110.806 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.485 ' HG3' ' HB3' ' A' 1875 ' ' SER . 38.6 ttpt -63.4 -43.98 95.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 1.8500000000000001 110.476 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -64.57 -38.36 90.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 3.1899999999999999 110.546 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' 1945 ' ' TYR . 50.9 mt-10 -64.72 -34.4 78.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.614 -0.266 . . . . 1.53 110.984 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.55 -38.91 77.66 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.617 -0.512 . . . . 1.0900000000000001 109.617 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.766 HG23 HG23 ' A' 1872 ' ' VAL . 91.7 mt -56.56 -43.58 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.194 0.521 . . . . 1.1100000000000001 109.712 172.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.61 ' O ' ' HG3' ' A' 1956 ' ' ARG . 21.2 mm-40 -62.95 -46.55 87.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.59 -0.732 . . . . 2.1099999999999999 110.744 175.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.468 ' O ' HG23 ' A' 1957 ' ' VAL . 73.3 m -57.42 -41.92 81.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.767 0.317 . . . . 1.6799999999999999 110.538 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.59 -51.41 69.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 1.0800000000000001 111.637 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.53 ' O ' ' HG3' ' A' 1959 ' ' GLU . 7.5 ptm180 -62.73 -34.28 76.85 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.768 -0.373 . . . . 3.7200000000000002 110.997 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.61 ' HG3' ' O ' ' A' 1952 ' ' GLU . 97.6 mtt180 -66.09 -45.57 80.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.849 0.357 . . . . 3.6299999999999999 110.816 178.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.629 ' HB ' HG21 ' A' 1868 ' ' VAL . 91.7 t -65.51 -40.95 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 1.0600000000000001 110.643 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.1 m -57.97 -36.62 72.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.362 -0.381 . . . . 1.6599999999999999 110.915 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.0 mt-10 -64.59 -35.34 80.68 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.153 0.501 . . . . 1.8600000000000001 110.376 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.515 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.1 mmtt -70.48 -40.56 73.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.758 -0.655 . . . . 1.4199999999999999 110.79 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.795 HG12 ' HB1' ' A' 1865 ' ' ALA . 22.1 t -55.39 -41.98 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.944 0.402 . . . . 1.0800000000000001 110.48 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 44.0 t -57.03 -40.24 76.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.73 -0.668 . . . . 1.54 110.623 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 65.0 m170 -76.9 -29.57 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 1.8899999999999999 110.734 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' 1960 ' ' LYS . 67.1 t -67.82 -49.91 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.111 0.482 . . . . 1.1200000000000001 109.831 175.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.55 ' O ' ' HG2' ' A' 1969 ' ' GLN . 82.3 mt -59.08 -41.27 87.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.697 -0.683 . . . . 1.0800000000000001 110.495 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.41 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.791 -0.641 . . . . 1.1200000000000001 111.202 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1967 ' ' ALA . . . . . 0.411 ' HA ' ' HD1' ' A' 1915 ' ' HIS . . . -58.03 -42.19 84.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 1.0900000000000001 110.865 179.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.651 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -72.1 -39.55 68.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 1.1000000000000001 110.734 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1969 ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' 1965 ' ' LEU . 31.4 mm-40 -64.69 -32.71 74.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.214 -0.448 . . . . 1.7 110.53 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -79.53 -23.6 42.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 1.46 111.282 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -77.64 -33.46 42.66 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.689 -0.767 . . . . 2.0 112.685 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -84.25 124.56 31.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.815 0.34 . . . . 5.0099999999999998 110.435 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.726 -0.654 . . . . 8.1600000000000001 110.222 -179.864 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.888 -0.485 . . . . 21.93 111.888 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 2.6 pp -106.41 -1.75 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.953 0.406 . . . . 20.550000000000001 111.092 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.04 131.76 92.19 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.767 -0.652 . . . . 19.41 109.513 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.6 -22.7 50.57 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.401 2.067 . . . . 18.440000000000001 112.83 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 25.2 m-85 68.57 -59.1 0.46 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.654 0.782 . . . . 20.98 110.585 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 3.9 t -136.16 102.82 5.12 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.489 -0.93 . . . . 16.809999999999999 108.489 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 48.5 t30 -83.88 105.12 14.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.53 . . . . 16.420000000000002 111.611 -171.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -115.39 -15.96 11.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.829 -0.623 . . . . 14.41 109.683 175.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . 60.94 21.41 11.68 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.309 -0.859 . . . . 12.27 111.669 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -92.98 -17.73 23.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.164 0.507 . . . . 10.710000000000001 110.402 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 49.6 m -149.67 -47.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.779 -0.646 . . . . 8.9499999999999993 110.918 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 72.06 -48.2 0.68 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.521 0.728 . . . . 7.1900000000000004 111.069 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -137.01 139.12 41.19 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.482 -0.562 . . . . 5.0 109.482 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -81.99 45.89 3.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.114 -0.565 . . . . 4.2199999999999998 112.27 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 40.7 t -129.38 -33.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.761 0.315 . . . . 2.7200000000000002 111.215 -178.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.844 HG23 ' HE2' ' A' 1827 ' ' MET . 8.9 p -134.9 10.87 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 120.983 0.421 . . . . 1.9199999999999999 111.137 -172.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -56.73 -47.04 88.4 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.394 -0.431 . . . . 2.1000000000000001 113.369 -174.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -76.02 -27.0 63.13 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.66 -0.781 . . . . 1.3899999999999999 112.12 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.844 ' HE2' HG23 ' A' 1824 ' ' VAL . 24.6 mtp -75.49 -45.36 38.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.719 0.295 . . . . 1.79 110.963 -178.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.6 p -66.74 -24.18 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.036 0.446 . . . . 1.28 110.387 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.34 -39.92 93.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.87 109.985 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 22.6 t -63.69 -38.78 92.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.996 -0.547 . . . . 1.3500000000000001 110.023 177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.558 HG22 ' CE2' ' A' 1893 ' ' TYR . 30.2 mt -66.15 -43.59 92.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.107 -0.497 . . . . 1.0900000000000001 110.235 176.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 50.9 m -60.16 -41.11 92.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 1.1399999999999999 110.757 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.25 -39.8 88.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 3.02 110.17 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.497 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -65.29 -30.57 71.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.604 . . . . 1.0600000000000001 111.511 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1835 ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' 1831 ' ' ILE . 23.9 mt -65.85 -49.03 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.351 0.596 . . . . 1.1899999999999999 109.853 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -71.21 -39.58 71.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.26 -0.882 . . . . 0.80000000000000004 111.717 -175.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1837 ' ' GLN . . . . . 0.497 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.2 pt20 -61.73 -25.78 67.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.518 -176.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' 1834 ' ' ALA . 80.1 mt -65.42 -35.75 81.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.034 0.445 . . . . 1.25 110.58 178.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -87.44 -36.19 17.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.999 -0.546 . . . . 1.79 110.857 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.99 20.01 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 3.25 111.249 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1841 ' ' GLY . . . . . 0.587 ' HA3' ' HG3' ' A' 1901 ' ' LYS . . . -79.71 176.61 54.63 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.908 -0.663 . . . . 2.2799999999999998 112.986 -177.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.24 144.42 99.4 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.294 2.663 . . . . 3.0899999999999999 113.022 -177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.96 -21.43 34.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.681 -0.691 . . . . 5.5099999999999998 110.082 178.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1844 ' ' GLY . . . . . 0.748 ' HA2' HG12 ' A' 1905 ' ' VAL . . . -160.29 -173.59 29.02 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.706 -0.679 . . . . 2.1499999999999999 112.248 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 31.7 t70 60.68 76.97 0.39 Allowed Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 123.499 0.72 . . . . 3.0800000000000001 112.229 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.95 170.98 17.15 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.696 2.264 . . . . 1.3 110.564 166.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -104.22 31.44 4.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.161 0.505 . . . . 2.8199999999999998 110.578 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 163.62 -173.85 39.76 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.891 -0.595 . . . . 1.21 111.672 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 38.3 t -90.66 175.45 7.03 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.739 -0.467 . . . . 1.9399999999999999 109.739 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.528 ' HE1' HD13 ' A' 1916 ' ' ILE . 91.1 t80 -61.13 -38.36 86.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.405 -0.361 . . . . 0.89000000000000001 110.233 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.6 p -60.86 -37.2 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 1.3400000000000001 111.071 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.09 -50.66 67.43 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.134 0.493 . . . . 1.71 110.458 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -70.56 -36.23 73.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.824 -0.626 . . . . 1.4299999999999999 111.39 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.64 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 59.7 tt0 -55.58 -55.85 27.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.098 0.249 . . . . 1.21 111.386 -179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.502 ' O ' ' HG3' ' A' 1859 ' ' ARG . 13.2 t -63.09 -34.3 77.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.43 -0.35 . . . . 2.1099999999999999 111.175 -175.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 26.2 m -74.4 -44.87 50.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.761 0.315 . . . . 1.1899999999999999 110.943 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 37.2 mmm -61.52 -42.39 98.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 1.1000000000000001 111.706 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.705 ' O ' ' HG3' ' A' 1862 ' ' LYS . 31.0 m -64.01 -30.15 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.348 -0.541 . . . . 1.0700000000000001 110.648 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' 1855 ' ' THR . 63.6 mtp180 -71.62 -47.85 51.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.823 0.345 . . . . 3.6299999999999999 110.434 178.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.566 ' HB ' HD13 ' A' 1896 ' ' LEU . 3.0 m -65.02 -33.73 76.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 1.1100000000000001 110.989 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.467 ' O ' HG13 ' A' 1864 ' ' ILE . . . -65.19 -42.35 93.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.372 -0.376 . . . . 1.0900000000000001 110.948 178.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.705 ' HG3' ' O ' ' A' 1858 ' ' VAL . 80.6 mttt -64.03 -35.29 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.032 0.444 . . . . 1.8799999999999999 110.039 177.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.98 92.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.565 -0.743 . . . . 1.1499999999999999 111.32 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.722 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.73 -28.03 14.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.441 -0.503 . . . . 1.0800000000000001 110.196 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.83 ' HB2' HG12 ' A' 1961 ' ' VAL . . . -69.65 -43.04 73.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.347 -0.388 . . . . 0.98999999999999999 111.469 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.3 p -66.85 -26.32 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 1.45 110.002 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 75.6 m -74.22 -47.71 33.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.61 -0.723 . . . . 1.0600000000000001 110.844 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.778 HG21 ' HB ' ' A' 1957 ' ' VAL . 7.3 p -69.38 -32.38 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.723 0.297 . . . . 1.05 111.063 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -69.53 -26.2 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.325 0.583 . . . . 0.91000000000000003 109.431 175.628 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' 1869 ' ' GLN . 7.5 tp10 -77.83 -33.09 52.51 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 116.078 -0.51 . . . . 0.56999999999999995 109.685 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.51 ' SD ' HD21 ' A' 1882 ' ' LEU . 5.6 mmt -54.14 -54.93 32.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.888 -0.596 . . . . 1.25 111.358 177.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.647 HG23 HG22 ' A' 1951 ' ' ILE . 11.9 p -59.32 -36.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.516 0.674 . . . . 1.27 110.969 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 85.9 m -76.28 -46.85 25.98 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.125 -0.943 . . . . 1.1499999999999999 111.118 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 7.3 mmpt? -77.21 -25.38 51.63 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 116.189 -0.459 . . . . 1.97 111.819 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.433 ' O ' ' HD2' ' A' 1947 ' ' LYS . 20.6 t -63.01 -31.26 72.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.32 0.581 . . . . 1.74 110.036 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -80.0 -27.5 39.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.568 -0.742 . . . . 0.76000000000000001 111.622 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 11.5 p -109.34 -45.54 3.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.994 0.738 . . . . 1.71 112.994 -172.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1878 ' ' SER . . . . . 0.421 ' HB3' ' HG3' ' A' 1881 ' ' GLU . 69.5 m -140.82 91.29 9.25 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.336 -0.393 . . . . 1.4299999999999999 111.07 -169.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.8 -27.1 37.96 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.549 2.166 . . . . 1.02 113.326 -174.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.71 -9.8 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 2.2400000000000002 111.194 -177.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' 1885 ' ' LEU . 31.0 mt-10 -82.14 -10.26 59.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 1.8899999999999999 110.577 174.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.51 HD21 ' SD ' ' A' 1871 ' ' MET . 95.8 mt -72.63 -31.13 64.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.491 . . . . 1.1399999999999999 111.639 -176.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1883 ' ' GLY . . . . . 0.407 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -60.59 -55.36 30.38 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.941 -0.647 . . . . 0.42999999999999999 113.174 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' 1883 ' ' GLY . 9.9 Cg_endo -56.39 -35.81 96.62 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.531 2.154 . . . . 1.0 112.371 174.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' 1881 ' ' GLU . 80.2 mt -70.93 -43.06 68.99 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.567 -0.288 . . . . 1.0700000000000001 110.466 179.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.71 -36.49 69.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.264 -0.426 . . . . 1.1000000000000001 109.874 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1887 ' ' ASN . . . . . 0.455 ' HA ' ' HE3' ' A' 1827 ' ' MET . 4.9 t-20 -71.78 -44.22 64.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.099 -0.5 . . . . 1.4299999999999999 110.687 -179.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.51 -47.85 79.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 1.0700000000000001 110.58 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.659 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 44.4 tp -54.66 -43.25 72.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 1.05 109.889 176.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1890 ' ' THR . . . . . 0.465 HG21 HG13 ' A' 1831 ' ' ILE . 51.8 m -61.79 -49.61 75.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.555 -0.748 . . . . 1.0800000000000001 111.382 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1891 ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' 1895 ' ' ARG . 81.5 p -67.7 -48.46 66.47 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.904 0.383 . . . . 1.72 111.29 -173.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1892 ' ' ASP . . . . . 0.433 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 7.4 m-20 -62.78 -37.6 87.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.973 -0.558 . . . . 0.80000000000000004 111.273 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1893 ' ' TYR . . . . . 0.558 ' CE2' HG22 ' A' 1831 ' ' ILE . 50.9 t80 -63.02 -44.69 95.27 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.762 -0.375 . . . . 1.05 110.488 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.56 -42.4 90.25 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.84 -0.695 . . . . 0.34000000000000002 111.72 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 74.4 mtt180 -61.98 -49.98 73.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.799 0.333 . . . . 3.48 110.493 177.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.566 HD13 ' HB ' ' A' 1860 ' ' THR . 21.2 tp -56.79 -51.47 68.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.826 -0.625 . . . . 1.45 110.892 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.17 -30.6 71.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.34 -0.391 . . . . 1.1499999999999999 111.716 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 49.5 m -73.28 -32.3 64.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.851 0.357 . . . . 1.8899999999999999 110.755 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -79.36 -29.3 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.995 -0.548 . . . . 1.5600000000000001 110.825 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.72 97.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.688 -0.687 . . . . 1.0700000000000001 112.75 -174.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.587 ' HG3' ' HA3' ' A' 1841 ' ' GLY . 5.0 tmtt? -65.12 -54.62 32.17 Favored Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 121.002 -0.279 . . . . 2.8500000000000001 111.405 -176.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 32.6 Cg_exo -61.01 -30.18 89.26 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.038 1.825 . . . . 0.87 112.266 176.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.33 97.4 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.144 0.497 . . . . 1.0700000000000001 110.251 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1904 ' ' ALA . . . . . 0.433 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -63.09 -37.55 87.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.339 -0.846 . . . . 1.0800000000000001 111.142 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1905 ' ' VAL . . . . . 0.748 HG12 ' HA2' ' A' 1844 ' ' GLY . 46.7 t -75.52 -26.63 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.806 -0.634 . . . . 1.9199999999999999 110.464 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -84.06 -12.65 54.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 1.1699999999999999 111.196 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.05 147.11 52.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.215 -0.448 . . . . 1.23 110.873 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.97 -40.8 83.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 2.6699999999999999 110.432 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.667 ' HB3' HG12 ' A' 1912 ' ' ILE . 47.1 t-20 -106.16 137.05 44.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.722 -0.672 . . . . 2.4900000000000002 109.941 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.33 -38.23 90.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.294 -0.412 . . . . 2.2400000000000002 109.904 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.8 -35.67 77.06 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.884 0.373 . . . . 2.4900000000000002 110.629 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.667 HG12 ' HB3' ' A' 1909 ' ' ASN . 34.8 mm -66.43 -43.59 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.816 -0.629 . . . . 1.3899999999999999 109.954 178.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1913 ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -64.62 -46.62 89.5 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.753 -0.736 . . . . 0.57999999999999996 111.885 176.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -55.8 -41.12 73.68 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.06 0.457 . . . . 1.22 110.352 176.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.403 ' O ' ' HG2' ' A' 1919 ' ' ARG . 3.4 t-80 -59.76 -46.15 90.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.283 -0.871 . . . . 2.1800000000000002 110.609 -178.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.528 HD13 ' HE1' ' A' 1850 ' ' PHE . 79.7 mt -59.29 -54.67 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 1.1299999999999999 110.908 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -59.42 -47.34 85.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 1.8100000000000001 110.872 -177.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 48.5 m170 -65.31 -34.46 78.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.521 -0.763 . . . . 2.52 111.792 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' 1915 ' ' HIS . 6.6 mmp_? -73.02 -31.73 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.035 -0.266 . . . . 3.1499999999999999 110.78 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' 1916 ' ' ILE . 93.0 t -67.1 -32.18 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.092 0.472 . . . . 1.1200000000000001 110.294 176.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.22 -22.57 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 1.22 110.977 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.531 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 6.5 mm-40 -57.45 -43.22 83.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.473 -0.566 . . . . 1.49 109.473 171.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 52.3 mt -73.37 -26.85 61.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.648 -0.706 . . . . 1.3700000000000001 109.714 173.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.5 -33.43 58.92 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.585 -0.817 . . . . 0.64000000000000001 111.455 173.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -93.85 -39.21 10.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 0.85999999999999999 110.55 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.0 -53.63 9.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.192 -0.528 . . . . 0.28000000000000003 113.493 -176.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.659 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 22.3 t -62.26 -44.44 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.729 0.265 . . . . 1.6599999999999999 110.37 -175.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 15.3 m -53.69 -51.29 63.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 1.5 110.63 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.49 98.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.689 -0.687 . . . . 1.01 111.096 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.628 HD13 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -63.54 -52.56 60.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 1.0700000000000001 110.808 -178.483 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.503 ' HB ' HG21 ' A' 1824 ' ' VAL . 28.2 m -66.87 -31.93 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.697 0.284 . . . . 1.0800000000000001 110.864 -177.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1932 ' ' THR . . . . . 0.55 ' HA ' HG11 ' A' 1824 ' ' VAL . 97.2 m -65.73 -43.94 87.53 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.23 0.538 . . . . 1.4099999999999999 110.113 174.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.622 ' HE3' HG21 ' A' 1946 ' ' THR . 26.2 tptt -62.71 -45.15 94.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.467 -0.788 . . . . 1.6799999999999999 110.328 -178.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.64 84.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.859 -0.61 . . . . 1.03 111.233 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.53 -45.57 95.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.867 -0.683 . . . . 0.42999999999999999 112.009 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.46 -28.96 59.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 1.3100000000000001 110.889 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.45 HD23 ' HB2' ' A' 1947 ' ' LYS . 2.7 tm? -71.83 -35.0 69.77 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.052 -0.522 . . . . 1.1200000000000001 109.666 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -74.2 -25.95 59.98 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.671 -0.412 . . . . 1.46 110.932 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 37.5 t -69.6 -30.55 68.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.055 0.455 . . . . 2.3599999999999999 109.794 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 49.5 m -147.05 77.32 10.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 1.0 109.825 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.09 -3.41 8.45 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.142 2.562 . . . . 0.72999999999999998 112.725 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 8.3 t -94.14 -5.58 46.85 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.696 -0.684 . . . . 1.95 110.555 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.16 102.38 11.05 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.959 -0.386 . . . . 1.1599999999999999 109.959 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 12.2 m -68.08 -34.89 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.08 -0.509 . . . . 1.96 112.235 -175.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 73.4 t80 -64.72 -49.79 69.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.439 -0.346 . . . . 2.25 110.925 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.622 HG21 ' HE3' ' A' 1933 ' ' LYS . 47.3 m -65.15 -36.17 83.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.342 -0.39 . . . . 1.1200000000000001 110.804 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.45 ' HB2' HD23 ' A' 1937 ' ' LEU . 38.1 ttpt -63.52 -42.37 98.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.002 -0.545 . . . . 1.8500000000000001 110.155 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.34 -40.79 97.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 3.1899999999999999 110.619 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.446 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 46.4 mt-10 -65.81 -31.57 72.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.449 -0.341 . . . . 1.53 111.177 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.1 -37.8 81.58 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.621 -0.511 . . . . 1.0900000000000001 109.621 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.647 HG22 HG23 ' A' 1872 ' ' VAL . 86.1 mt -58.2 -43.5 85.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.06 -0.518 . . . . 1.1100000000000001 109.706 174.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' 1956 ' ' ARG . 20.6 mm-40 -61.76 -47.5 84.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.739 -0.664 . . . . 2.1099999999999999 110.744 174.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.466 ' O ' HG21 ' A' 1957 ' ' VAL . 76.6 m -56.47 -44.16 80.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.671 0.272 . . . . 1.6799999999999999 110.884 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.31 70.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 1.0800000000000001 111.892 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' 1952 ' ' GLU . 11.7 ptm180 -62.63 -34.36 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.053 -0.259 . . . . 3.7200000000000002 110.952 -178.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.614 ' HG3' ' O ' ' A' 1952 ' ' GLU . 98.9 mtt180 -65.71 -47.06 76.66 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.465 -0.334 . . . . 3.6299999999999999 110.384 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.778 ' HB ' HG21 ' A' 1868 ' ' VAL . 96.5 t -62.6 -44.05 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 1.0600000000000001 110.421 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 41.6 m -55.76 -36.32 67.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.98 -0.555 . . . . 1.6599999999999999 111.464 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' 1955 ' ' ARG . 41.5 mt-10 -74.83 -34.46 62.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.929 0.395 . . . . 1.8600000000000001 111.102 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.531 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.8 mmtt -67.3 -34.68 77.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.454 -0.339 . . . . 1.4199999999999999 110.703 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.83 HG12 ' HB2' ' A' 1865 ' ' ALA . 34.7 t -54.34 -48.65 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 O-C-N 123.34 0.4 . . . . 1.0800000000000001 111.22 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 29.7 m -59.48 -36.07 75.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 1.54 110.968 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 77.9 m80 -72.93 -33.73 66.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 1.8899999999999999 110.835 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' 1960 ' ' LYS . 58.9 t -68.01 -45.74 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.854 -0.425 . . . . 1.1200000000000001 109.854 175.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' 1861 ' ' ALA . 65.9 mt -56.89 -46.52 81.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.714 -0.676 . . . . 1.0800000000000001 111.245 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.61 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 1.1200000000000001 111.863 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -62.31 -25.89 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.417 . . . . 1.0900000000000001 111.214 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.64 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -74.69 -50.07 18.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.404 . . . . 1.1000000000000001 111.204 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -70.81 -15.75 62.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.869 0.366 . . . . 1.7 110.82 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -71.14 -21.61 62.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.039 -0.528 . . . . 1.46 110.298 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -81.53 91.45 1.47 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.963 -0.637 . . . . 2.0 112.034 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -116.53 147.54 41.69 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.168 -0.308 . . . . 5.0099999999999998 110.168 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.522 -0.751 . . . . 8.1600000000000001 109.825 179.601 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 112.159 -0.376 . . . . 21.93 112.159 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 13.0 tt -171.09 139.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.882 -0.414 . . . . 20.550000000000001 109.882 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -82.07 115.8 59.68 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.937 -0.394 . . . . 19.41 109.937 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1812 ' ' PRO . . . . . 0.651 ' HB2' ' O ' ' A' 1815 ' ' ASN . 93.8 Cg_endo -89.44 11.2 2.97 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.136 2.558 . . . . 18.440000000000001 112.958 -177.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 96.1 m-85 54.97 -100.46 0.11 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.408 0.892 . . . . 20.98 113.408 175.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 14.3 t -83.15 -32.03 26.86 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.126 0.417 . . . . 16.809999999999999 112.126 -169.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.651 ' O ' ' HB2' ' A' 1812 ' ' PRO . 27.8 t-20 -118.59 111.66 18.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.789 -0.449 . . . . 16.420000000000002 109.789 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.646 ' HA ' ' HG2' ' A' 1812 ' ' PRO . 39.6 mt-10 -76.52 85.84 3.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.54 0.686 . . . . 14.41 111.386 -173.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -148.61 94.03 2.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.109 -0.95 . . . . 12.27 110.004 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -96.58 -37.89 10.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.2 0.524 . . . . 10.710000000000001 109.92 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 20.9 t -108.8 99.13 8.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.493 -0.776 . . . . 8.9499999999999993 109.507 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -79.56 -47.0 16.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.297 -0.41 . . . . 7.1900000000000004 111.215 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -100.39 177.54 5.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.243 -0.435 . . . . 5.0 111.073 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -86.31 4.09 86.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.856 -0.688 . . . . 4.2199999999999998 111.665 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 56.3 t 71.18 111.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 C-N-CA 123.312 0.645 . . . . 2.7200000000000002 110.759 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.444 HG12 ' HB ' ' A' 1931 ' ' VAL . 85.9 t 68.5 89.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 122.093 0.949 . . . . 1.9199999999999999 110.82 -175.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -145.25 156.3 26.88 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 114.441 -1.254 . . . . 2.1000000000000001 110.614 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 85.85 -62.91 4.33 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.784 -0.722 . . . . 1.3899999999999999 111.871 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1827 ' ' MET . . . . . . . . . . . . . 25.8 ptt? -67.63 -16.83 64.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 1.79 110.969 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 12.7 p -68.78 -26.6 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.005 0.431 . . . . 1.28 110.052 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.52 -31.0 67.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.027 -0.533 . . . . 0.87 110.121 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 74.6 m -59.65 -32.99 70.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.746 -0.661 . . . . 1.3500000000000001 110.694 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.579 HG22 ' CE2' ' A' 1893 ' ' TYR . 58.6 mt -69.61 -44.71 79.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.986 0.422 . . . . 1.0900000000000001 110.125 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 10.4 m -62.85 -40.17 96.63 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.93 -0.577 . . . . 1.1399999999999999 110.64 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.41 -40.97 96.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 3.02 110.191 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.506 ' HB3' ' CB ' ' A' 1897 ' ' ALA . . . -60.73 -32.0 71.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.78 . . . . 1.0600000000000001 111.352 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1835 ' ' ILE . . . . . 0.479 ' HA ' HE22 ' A' 1921 ' ' GLN . 51.9 mt -65.56 -54.92 22.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.078 0.466 . . . . 1.1899999999999999 110.155 175.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -61.6 -46.68 88.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.589 -0.732 . . . . 0.80000000000000004 111.786 -175.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -56.93 -31.28 64.79 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.364 0.505 . . . . 1.0 112.364 -173.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.493 HD22 ' O ' ' A' 1897 ' ' ALA . 80.3 mt -79.34 -43.44 23.54 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.665 0.246 . . . . 1.25 111.665 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -87.26 -30.1 21.16 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.702 -0.399 . . . . 1.79 111.561 -174.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -65.79 -58.98 4.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.836 -0.431 . . . . 3.25 109.836 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 176.23 120.72 0.63 Allowed Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.657 -0.701 . . . . 2.2799999999999998 111.723 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -83.29 168.97 12.92 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.502 2.135 . . . . 3.0899999999999999 111.575 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 27.5 ttt -95.16 -36.01 11.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.278 0.561 . . . . 5.5099999999999998 109.561 174.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 94.29 -110.16 3.94 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.469 -0.787 . . . . 2.1499999999999999 111.529 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1845 ' ' ASP . . . . . 0.422 ' N ' ' HD3' ' A' 1846 ' ' PRO . 38.2 t70 60.33 67.32 1.66 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.029 0.487 . . . . 3.0800000000000001 111.054 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1846 ' ' PRO . . . . . 0.853 ' HA ' ' HH ' ' A' 1853 ' ' TYR . 4.4 Cg_endo -84.76 119.07 2.18 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 122.653 2.235 . . . . 1.3 111.79 175.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1847 ' ' GLU . . . . . 0.5 ' H ' ' HH ' ' A' 1853 ' ' TYR . 6.4 mm-40 -93.61 14.19 19.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.843 -0.617 . . . . 2.8199999999999998 110.38 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -167.12 -150.52 6.47 Favored Glycine 0 N--CA 1.441 -0.981 0 CA-C-N 115.505 -0.77 . . . . 1.21 111.463 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 38.2 m -104.86 176.84 5.03 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.872 0.368 . . . . 1.9399999999999999 110.581 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1850 ' ' PHE . . . . . 0.575 ' HE1' HD11 ' A' 1916 ' ' ILE . 84.6 t80 -56.02 -41.53 75.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.831 -0.622 . . . . 0.89000000000000001 110.728 177.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -59.15 -35.2 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.057 -0.52 . . . . 1.3400000000000001 111.601 -177.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.57 -50.64 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.252 0.549 . . . . 1.71 110.872 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1853 ' ' TYR . . . . . 0.853 ' HH ' ' HA ' ' A' 1846 ' ' PRO . 94.5 m-85 -76.7 -31.03 56.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.851 -0.613 . . . . 1.4299999999999999 110.805 -178.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.663 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 51.5 tt0 -56.75 -57.27 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 1.21 111.121 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1855 ' ' THR . . . . . 0.511 ' O ' ' HG3' ' A' 1859 ' ' ARG . 14.9 t -62.98 -31.04 72.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 2.1099999999999999 110.631 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 90.2 m -72.8 -43.96 62.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.286 -0.416 . . . . 1.1899999999999999 111.394 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 81.4 mtp -71.34 -38.82 71.63 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.996 0.369 . . . . 1.1000000000000001 111.996 -176.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.655 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.5 m -61.87 -31.41 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.519 -0.472 . . . . 1.0700000000000001 110.77 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' 1855 ' ' THR . 68.7 mtt180 -70.34 -44.12 68.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.844 0.354 . . . . 3.6299999999999999 110.457 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.585 ' HB ' HD21 ' A' 1896 ' ' LEU . 23.5 m -66.86 -33.17 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.303 -0.408 . . . . 1.1100000000000001 110.921 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' 1864 ' ' ILE . . . -61.78 -42.19 98.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 1.0900000000000001 110.541 175.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.655 ' HG3' ' O ' ' A' 1858 ' ' VAL . 59.4 mttm -62.38 -31.94 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 1.8799999999999999 110.414 176.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.51 72.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.763 -0.653 . . . . 1.1499999999999999 111.249 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.755 HD11 HG23 ' A' 1961 ' ' VAL . 1.4 pp -75.77 -29.8 20.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.393 -0.523 . . . . 1.0800000000000001 109.994 178.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.784 ' HB2' HG13 ' A' 1961 ' ' VAL . . . -70.22 -44.49 68.47 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 116.269 -0.423 . . . . 0.98999999999999999 111.614 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.409 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.8 p -64.64 -26.49 40.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.368 0.604 . . . . 1.45 110.087 177.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 98.8 m -74.39 -49.95 20.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 1.0600000000000001 111.159 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.777 HG21 ' HB ' ' A' 1957 ' ' VAL . 5.1 p -65.96 -32.65 59.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.827 0.346 . . . . 1.05 111.035 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.613 ' O ' HG13 ' A' 1872 ' ' VAL . 0.0 OUTLIER -69.96 -27.91 65.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.217 0.532 . . . . 0.91000000000000003 109.719 176.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.497 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.9 tp10 -78.09 -35.92 48.78 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.87 -0.418 . . . . 0.56999999999999995 109.87 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.465 ' HE2' HD23 ' A' 1930 ' ' LEU . 48.5 mmm -60.85 -34.34 74.44 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.15 -0.477 . . . . 1.25 111.513 -178.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' 1869 ' ' GLN . 9.5 p -70.04 -34.75 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.483 0.659 . . . . 1.27 110.301 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 84.8 m -80.97 -42.52 21.11 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.617 -0.72 . . . . 1.1499999999999999 110.98 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.754 ' HE3' ' HA ' ' A' 1874 ' ' LYS . 0.0 OUTLIER -70.67 -32.65 69.98 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 116.151 -0.477 . . . . 1.97 112.159 -175.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1875 ' ' SER . . . . . 0.424 ' HA ' HD12 ' A' 1882 ' ' LEU . 10.1 p -62.39 -26.46 68.49 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.49 0.662 . . . . 1.74 110.58 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -82.57 -34.78 27.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.346 -0.843 . . . . 0.76000000000000001 112.035 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 7.6 p -108.88 -35.95 6.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.253 0.834 . . . . 1.71 113.253 -170.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 72.6 m -150.0 85.86 5.43 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.42 -0.355 . . . . 1.4299999999999999 110.507 -171.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.19 -29.43 86.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.574 2.182 . . . . 1.02 112.165 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.22 -24.72 64.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.858 -0.61 . . . . 2.2400000000000002 111.181 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.414 ' O ' ' HD2' ' A' 1884 ' ' PRO . 33.7 mm-40 -74.32 -17.07 60.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 1.8899999999999999 111.388 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' 1875 ' ' SER . 92.5 mt -68.78 -23.68 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.101 -0.5 . . . . 1.1399999999999999 111.219 -178.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.42 17.95 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.63 -0.795 . . . . 0.42999999999999999 112.877 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1884 ' ' PRO . . . . . 0.414 ' HD2' ' O ' ' A' 1881 ' ' GLU . 36.3 Cg_exo -59.96 -33.44 95.64 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.522 2.148 . . . . 1.0 112.194 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1885 ' ' LEU . . . . . 0.402 ' HB2' ' SD ' ' A' 1871 ' ' MET . 76.2 mt -73.5 -46.12 49.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.266 -0.425 . . . . 1.0700000000000001 110.95 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.39 -31.23 65.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.145 0.498 . . . . 1.1000000000000001 109.679 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -70.32 -50.78 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.559 -0.746 . . . . 1.4299999999999999 110.521 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -64.58 -42.48 95.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 1.0700000000000001 110.548 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.445 HD13 ' HB ' ' A' 1864 ' ' ILE . 47.3 tp -56.34 -42.68 78.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 1.05 109.763 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 37.3 m -64.14 -49.15 73.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.413 -0.812 . . . . 1.0800000000000001 111.153 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 17.3 t -65.24 -53.05 50.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.94 -0.573 . . . . 1.72 111.72 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.52 -35.16 79.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.80000000000000004 111.208 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1893 ' ' TYR . . . . . 0.601 ' HH ' ' CA ' ' A' 1924 ' ' GLY . 58.0 t80 -63.77 -41.21 98.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.764 0.316 . . . . 1.05 110.297 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -65.47 -30.6 77.92 Favored Glycine 0 CA--C 1.507 -0.452 0 N-CA-C 110.904 -0.878 . . . . 0.34000000000000002 110.904 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' 1899 ' ' GLN . 6.7 ttp180 -72.14 -40.23 68.19 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.917 -0.642 . . . . 3.48 110.479 175.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.585 HD21 ' HB ' ' A' 1860 ' ' THR . 14.5 mt -63.85 -40.9 97.66 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.827 -0.349 . . . . 1.45 110.497 175.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1897 ' ' ALA . . . . . 0.506 ' CB ' ' HB3' ' A' 1834 ' ' ALA . . . -63.34 -32.41 73.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.744 -0.662 . . . . 1.1499999999999999 112.024 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 10.0 p -80.36 -44.5 19.35 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.939 -0.304 . . . . 1.8899999999999999 110.835 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1899 ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' 1895 ' ' ARG . 19.2 mt-30 -65.1 -24.12 67.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.464 -0.334 . . . . 1.5600000000000001 111.722 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -65.74 -27.96 68.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.431 -0.35 . . . . 1.0700000000000001 111.628 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.505 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 97.0 mttt -64.37 -59.7 10.26 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 116.644 -0.253 . . . . 2.8500000000000001 111.33 -179.073 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.505 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 36.1 Cg_endo -66.4 -30.0 44.89 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.743 1.629 . . . . 0.87 112.153 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.17 97.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.014 0.435 . . . . 1.0700000000000001 110.555 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.13 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.625 . . . . 1.0800000000000001 111.006 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 49.0 t -75.55 -32.9 25.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 1.9199999999999999 111.037 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -75.12 -10.32 59.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 1.1699999999999999 111.084 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -76.13 141.67 41.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 1.23 110.379 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -78.81 -11.74 60.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.204 0.526 . . . . 2.6699999999999999 110.735 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.628 ' HB2' HG12 ' A' 1912 ' ' ILE . 2.1 m-20 -122.35 140.92 52.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.508 . . . . 2.4900000000000002 109.921 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -65.39 -39.31 92.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.757 -0.46 . . . . 2.2400000000000002 109.757 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1911 ' ' GLU . . . . . 0.441 ' H ' ' CD ' ' A' 1911 ' ' GLU . 2.4 mp0 -59.02 -38.95 80.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 2.4900000000000002 110.813 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.628 HG12 ' HB2' ' A' 1909 ' ' ASN . 42.3 mm -68.74 -44.42 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.015 -0.539 . . . . 1.3899999999999999 110.281 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.07 -44.79 93.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.57999999999999996 111.687 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -56.09 -44.02 78.62 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.224 0.535 . . . . 1.22 110.383 175.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1915 ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' 1911 ' ' GLU . 3.1 t-80 -61.61 -42.44 98.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.087 -0.96 . . . . 2.1800000000000002 110.528 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.575 HD11 ' HE1' ' A' 1850 ' ' PHE . 85.8 mt -62.27 -55.39 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 1.1299999999999999 110.803 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.596 ' O ' ' HG2' ' A' 1921 ' ' GLN . 50.2 mtmt -59.47 -44.74 92.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 1.8100000000000001 110.981 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1918 ' ' HIS . . . . . 0.501 ' HA ' ' CG ' ' A' 1921 ' ' GLN . 2.0 m-70 -75.19 -25.48 58.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.53 0.567 . . . . 2.52 112.53 -175.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.465 ' HA ' ' HD3' ' A' 1919 ' ' ARG . 51.9 mmt-85 -74.93 -28.77 60.73 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.367 -0.533 . . . . 3.1499999999999999 110.787 174.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1920 ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' 1916 ' ' ILE . 61.0 t -68.5 -34.0 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.556 -0.535 . . . . 1.1200000000000001 109.556 173.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.596 ' HG2' ' O ' ' A' 1917 ' ' LYS . 20.8 mm-40 -57.75 -32.03 67.06 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.773 -0.648 . . . . 1.22 110.575 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.608 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 18.0 mm-40 -59.98 -47.21 86.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.654 -0.703 . . . . 1.49 110.461 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1923 ' ' LEU . . . . . 0.68 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 16.5 mt -70.56 -27.85 64.45 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.285 -0.635 . . . . 1.3700000000000001 109.285 176.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1924 ' ' GLY . . . . . 0.601 ' CA ' ' HH ' ' A' 1893 ' ' TYR . . . -55.93 -34.29 61.48 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.867 -0.683 . . . . 0.64000000000000001 112.133 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -89.67 -46.2 8.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.768 0.318 . . . . 0.85999999999999999 110.466 176.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.06 -56.73 12.82 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.063 -0.589 . . . . 0.28000000000000003 113.12 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.68 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 99.2 m -61.52 -36.27 80.07 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.669 0.388 . . . . 1.6599999999999999 111.01 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 12.7 t -62.08 -49.73 74.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 1.5 110.019 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.53 86.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 1.01 110.741 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.705 HD13 HG23 ' A' 1868 ' ' VAL . 0.8 OUTLIER -62.2 -53.36 56.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.78 -0.646 . . . . 1.0700000000000001 111.362 -179.268 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.444 ' HB ' HG12 ' A' 1824 ' ' VAL . 18.9 m -66.38 -31.11 52.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.965 0.412 . . . . 1.0800000000000001 110.644 -177.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 88.4 m -69.41 -41.28 76.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.009 -0.541 . . . . 1.4099999999999999 110.574 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.484 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.5 tptt -71.84 -35.2 69.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.587 . . . . 1.6799999999999999 110.829 -176.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -58.04 -37.14 73.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 1.03 111.5 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.46 98.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.8 -0.715 . . . . 0.42999999999999999 111.848 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.32 -30.43 62.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.037 0.446 . . . . 1.3100000000000001 110.605 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.413 HD21 ' HB2' ' A' 1947 ' ' LYS . 2.3 tm? -71.59 -37.34 71.0 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.021 -0.536 . . . . 1.1200000000000001 109.74 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -70.99 -26.08 62.98 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.481 -0.488 . . . . 1.46 110.975 175.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 11.5 t -67.69 -32.27 72.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.204 -0.453 . . . . 2.3599999999999999 109.822 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 73.9 m -150.77 81.63 6.34 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.095 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.07 -18.67 59.32 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.311 2.674 . . . . 0.72999999999999998 112.855 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 48.2 m -83.39 -12.94 55.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.002 -0.544 . . . . 1.95 111.753 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.4 108.76 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.104 0.478 . . . . 1.1599999999999999 110.539 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 14.7 m -63.43 -38.54 82.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.615 -0.72 . . . . 1.96 111.99 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -69.9 -46.95 64.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.49 -0.323 . . . . 2.25 110.966 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 35.7 m -60.22 -41.65 93.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 1.1200000000000001 110.344 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1947 ' ' LYS . . . . . 0.457 ' O ' HG13 ' A' 1951 ' ' ILE . 38.3 ttpt -63.78 -46.21 86.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.815 -0.63 . . . . 1.8500000000000001 110.291 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1948 ' ' LYS . . . . . 0.575 ' O ' ' HG2' ' A' 1952 ' ' GLU . 54.6 tttm -56.15 -48.46 76.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.861 -0.609 . . . . 3.1899999999999999 111.059 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.484 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 52.3 mt-10 -61.79 -35.26 77.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.369 . . . . 1.53 111.483 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1950 ' ' LEU . . . . . 0.416 ' HG ' HD21 ' A' 1930 ' ' LEU . 8.9 tt -68.49 -36.41 78.89 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.72 -0.474 . . . . 1.0900000000000001 109.72 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.458 HG21 HG21 ' A' 1872 ' ' VAL . 85.6 mt -62.99 -41.38 92.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 1.1100000000000001 110.03 174.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' 1948 ' ' LYS . 58.4 mm-40 -57.82 -46.73 84.29 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.541 -0.541 . . . . 2.1099999999999999 109.541 174.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.511 ' O ' HG23 ' A' 1957 ' ' VAL . 69.8 m -58.94 -46.85 86.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.642 -0.708 . . . . 1.6799999999999999 110.9 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -56.54 -46.04 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 1.0800000000000001 111.536 -178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.49 ' O ' ' HG2' ' A' 1959 ' ' GLU . 64.4 mtt180 -60.88 -45.52 94.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.553 -0.294 . . . . 3.7200000000000002 110.609 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.594 ' O ' ' HG2' ' A' 1960 ' ' LYS . 22.5 mtm180 -60.34 -41.47 93.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.36 -0.382 . . . . 3.6299999999999999 111.062 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.777 ' HB ' HG21 ' A' 1868 ' ' VAL . 53.5 t -65.02 -47.2 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.901 0.381 . . . . 1.0600000000000001 110.654 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 16.0 m -57.36 -35.66 70.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 1.6599999999999999 111.003 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' 1955 ' ' ARG . 5.7 mm-40 -70.53 -29.34 65.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.28 0.562 . . . . 1.8600000000000001 111.39 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.608 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.2 mmtt -76.31 -35.28 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.167 -0.469 . . . . 1.4199999999999999 110.73 -178.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.784 HG13 ' HB2' ' A' 1865 ' ' ALA . 27.4 t -55.1 -45.85 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 O-C-N 123.224 0.327 . . . . 1.0800000000000001 111.388 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 41.4 t -58.24 -36.42 73.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.979 0.419 . . . . 1.54 110.429 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 67.1 m80 -77.36 -26.98 52.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.471 . . . . 1.8899999999999999 111.102 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' 1960 ' ' LYS . 57.7 t -73.13 -45.16 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.699 -0.482 . . . . 1.1200000000000001 109.699 174.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.53 ' O ' ' HG2' ' A' 1969 ' ' GLN . 71.2 mt -59.76 -46.22 89.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.787 -0.642 . . . . 1.0800000000000001 110.418 176.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.26 -24.75 65.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 1.1200000000000001 111.469 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1967 ' ' ALA . . . . . 0.433 ' HB1' ' HG3' ' A' 1919 ' ' ARG . . . -62.59 -41.24 98.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.376 . . . . 1.0900000000000001 110.626 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.663 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -71.49 -38.02 71.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.07 -0.513 . . . . 1.1000000000000001 110.814 177.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1969 ' ' GLN . . . . . 0.53 ' HG2' ' O ' ' A' 1965 ' ' LEU . 75.5 mm-40 -64.57 -19.19 65.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 1.7 111.107 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -78.67 -8.86 59.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 1.46 111.358 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1971 ' ' GLY . . . . . 0.568 ' HA3' ' CE2' ' A' 1850 ' ' PHE . . . -73.11 152.75 47.41 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.907 -0.663 . . . . 2.0 112.137 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 16.8 m120 -121.84 115.84 23.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.772 0.32 . . . . 5.0099999999999998 111.296 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.56 -0.734 . . . . 8.1600000000000001 109.313 172.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.945 -0.462 . . . . 21.93 111.945 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1810 ' ' ILE . . . . . 0.549 ' H ' HD11 ' A' 1810 ' ' ILE . 0.2 OUTLIER -125.11 -25.66 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.691 0.245 . . . . 20.550000000000001 110.593 177.768 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 21.6 m-20 61.3 92.47 0.06 OUTLIER Pre-proline 0 N--CA 1.463 0.218 0 O-C-N 123.883 0.739 . . . . 19.41 110.831 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -70.65 114.93 4.01 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.682 2.255 . . . . 18.440000000000001 113.061 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1813 ' ' PHE . . . . . 0.415 ' C ' ' H ' ' A' 1815 ' ' ASN . 80.7 m-85 -126.98 14.64 7.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.866 -0.606 . . . . 20.98 110.243 175.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 2.4 m -79.56 30.11 0.24 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.644 -0.707 . . . . 16.809999999999999 110.863 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.415 ' H ' ' C ' ' A' 1813 ' ' PHE . 7.5 t30 60.1 50.22 6.73 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.758 0.79 . . . . 16.420000000000002 109.691 -177.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.665 ' HG2' ' HB2' ' A' 1819 ' ' SER . 11.0 tp10 -154.48 130.95 10.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.108 -0.951 . . . . 14.41 109.171 -178.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -73.24 -65.06 0.86 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.149 0.426 . . . . 12.27 112.149 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -104.8 25.3 10.57 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.129 0.418 . . . . 10.710000000000001 112.129 -171.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1819 ' ' SER . . . . . 0.665 ' HB2' ' HG2' ' A' 1816 ' ' GLU . 38.8 m -149.85 146.42 27.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.027 0.442 . . . . 8.9499999999999993 111.432 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -121.93 -59.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.714 -0.675 . . . . 7.1900000000000004 109.394 175.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -98.2 14.79 26.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.525 -0.761 . . . . 5.0 109.368 172.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1822 ' ' GLY . . . . . 0.421 ' HA2' ' HB3' ' A' 1819 ' ' SER . . . 77.33 -69.37 2.54 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.247 -0.888 . . . . 4.2199999999999998 111.826 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 4.7 t -70.78 -69.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.03 0.443 . . . . 2.7200000000000002 110.854 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1824 ' ' VAL . . . . . 0.462 HG12 ' HB ' ' A' 1931 ' ' VAL . 49.1 t -108.53 114.59 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.084 -0.507 . . . . 1.9199999999999999 110.198 -177.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -169.65 25.78 0.11 Allowed Glycine 0 C--N 1.319 -0.376 0 C-N-CA 120.708 -0.758 . . . . 2.1000000000000001 112.702 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -134.71 -52.86 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.698 -0.763 . . . . 1.3899999999999999 111.643 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1827 ' ' MET . . . . . 0.58 ' HB2' HG23 ' A' 1890 ' ' THR . 24.2 ptt? -69.04 -13.06 62.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.877 0.37 . . . . 1.79 111.405 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.8 p -69.25 -29.69 43.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.343 0.592 . . . . 1.28 109.99 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.62 -38.65 84.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.87 109.649 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 18.9 m -57.81 -45.83 85.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.317 -0.856 . . . . 1.3500000000000001 110.452 175.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.411 HG21 ' OG ' ' A' 1928 ' ' SER . 61.5 mt -58.61 -43.89 88.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.651 -0.704 . . . . 1.0900000000000001 110.613 177.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 29.3 m -61.87 -44.23 97.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 1.1399999999999999 110.973 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -64.82 -37.73 88.6 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.837 0.351 . . . . 3.02 111.044 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1834 ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -62.44 -31.61 72.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.929 -0.578 . . . . 1.0600000000000001 111.085 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1835 ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' 1831 ' ' ILE . 67.3 mt -66.3 -46.19 87.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.943 -0.572 . . . . 1.1899999999999999 110.232 174.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -67.99 -42.52 80.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.659 -0.7 . . . . 0.80000000000000004 112.196 -174.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -58.52 -30.62 67.22 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.132 0.492 . . . . 1.0 111.623 -176.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1838 ' ' LEU . . . . . 0.506 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 81.0 mt -69.55 -39.46 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.237 -0.438 . . . . 1.25 111.333 -176.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 24.5 t70 -80.02 -34.54 38.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.189 -0.459 . . . . 1.79 111.358 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.91 -24.66 43.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.402 -0.363 . . . . 3.25 111.622 -175.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1841 ' ' GLY . . . . . 0.512 ' O ' ' HE3' ' A' 1901 ' ' LYS . . . -121.51 103.57 0.88 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.245 -0.978 . . . . 2.2799999999999998 113.141 -176.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1842 ' ' PRO . . . . . 0.452 ' HA ' ' HZ2' ' A' 1917 ' ' LYS . 91.5 Cg_endo -98.92 11.11 0.76 Allowed 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.201 2.601 . . . . 3.0899999999999999 112.013 172.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 27.3 ptt? -109.42 164.76 12.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 5.5099999999999998 111.279 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 170.18 176.64 39.89 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.253 -0.739 . . . . 2.1499999999999999 111.253 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -130.29 84.36 60.05 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 121.128 0.49 . . . . 3.0800000000000001 110.301 175.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -82.4 149.92 15.03 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.655 2.236 . . . . 1.3 112.375 176.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -123.71 -9.35 7.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.844 -0.617 . . . . 2.8199999999999998 110.473 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -86.39 171.1 43.48 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.74 -0.743 . . . . 1.21 112.121 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 2.8 p -88.82 32.98 0.78 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.656 0.243 . . . . 1.9399999999999999 111.656 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 80.3 t80 69.21 -54.45 0.57 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.32 0.648 . . . . 0.89000000000000001 111.497 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1851 ' ' VAL . . . . . 0.415 ' HA ' ' HB3' ' A' 1854 ' ' GLN . 10.0 p -56.28 -30.73 30.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.457 -0.338 . . . . 1.3400000000000001 111.191 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.72 -40.89 98.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 1.71 110.623 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -76.15 -40.23 53.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.575 -0.528 . . . . 1.4299999999999999 109.575 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1854 ' ' GLN . . . . . 0.627 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 47.6 tt0 -54.3 -51.79 63.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.134 -0.939 . . . . 1.21 111.289 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 4.9 p -61.29 -40.32 93.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 2.1099999999999999 111.324 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 17.5 m -63.57 -37.69 88.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.064 0.459 . . . . 1.1899999999999999 110.464 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 69.7 mtp -72.44 -51.1 21.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 1.1000000000000001 111.871 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1858 ' ' VAL . . . . . 0.705 ' O ' ' HG3' ' A' 1862 ' ' LYS . 29.7 m -58.87 -39.26 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.727 -0.389 . . . . 1.0700000000000001 111.179 -175.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1859 ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' 1859 ' ' ARG . 40.7 mtp180 -67.56 -37.11 82.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 3.6299999999999999 110.922 178.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1860 ' ' THR . . . . . 0.589 ' HB ' HD21 ' A' 1896 ' ' LEU . 63.6 m -69.96 -35.5 74.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.978 0.418 . . . . 1.1100000000000001 110.516 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1861 ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.07 -42.95 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 1.0900000000000001 110.491 176.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1862 ' ' LYS . . . . . 0.705 ' HG3' ' O ' ' A' 1858 ' ' VAL . 80.5 mttt -67.22 -26.43 66.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.87 0.367 . . . . 1.8799999999999999 110.295 176.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1863 ' ' ALA . . . . . 0.434 ' O ' HG11 ' A' 1866 ' ' VAL . . . -71.07 -42.25 69.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 1.1499999999999999 110.886 178.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1864 ' ' ILE . . . . . 0.615 HD11 HG22 ' A' 1961 ' ' VAL . 1.6 pp -73.06 -27.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.703 -0.48 . . . . 1.0800000000000001 109.703 176.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1865 ' ' ALA . . . . . 0.757 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.34 -40.99 81.4 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.97 -0.559 . . . . 0.98999999999999999 111.493 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1866 ' ' VAL . . . . . 0.434 HG11 ' O ' ' A' 1863 ' ' ALA . 12.8 p -68.83 -27.49 35.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.354 -0.539 . . . . 1.45 110.121 178.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1867 ' ' THR . . . . . 0.548 ' O ' ' HG3' ' A' 1871 ' ' MET . 99.1 m -70.79 -51.93 23.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 1.0600000000000001 110.791 174.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1868 ' ' VAL . . . . . 0.748 HG22 ' HB ' ' A' 1957 ' ' VAL . 7.3 p -63.79 -36.66 77.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.717 0.294 . . . . 1.05 111.024 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1869 ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -68.51 -26.2 65.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.291 0.567 . . . . 0.91000000000000003 109.794 177.67 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1870 ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' 1869 ' ' GLN . 5.4 tp10 -77.17 -38.5 51.61 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.56999999999999995 109.803 176.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1871 ' ' MET . . . . . 0.548 ' HG3' ' O ' ' A' 1867 ' ' THR . 81.8 mtp -64.71 -41.8 95.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 1.25 110.923 -177.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1872 ' ' VAL . . . . . 0.496 HG23 HG22 ' A' 1951 ' ' ILE . 11.3 p -63.65 -30.75 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 1.27 110.456 178.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 99.0 m -80.99 -55.19 4.95 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.143 -0.935 . . . . 1.1499999999999999 111.258 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1874 ' ' LYS . . . . . 0.755 ' HE2' ' HA ' ' A' 1874 ' ' LYS . 9.1 mmpt? -67.78 -28.13 67.35 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 113.068 0.766 . . . . 1.97 113.068 -172.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 7.2 p -57.9 -25.11 60.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.978 0.354 . . . . 1.74 111.777 -176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -69.26 -54.15 16.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.053 -0.521 . . . . 0.76000000000000001 111.623 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 1.9 p -100.99 -30.14 11.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.704 0.631 . . . . 1.71 112.704 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1878 ' ' SER . . . . . 0.464 ' HB2' ' HG2' ' A' 1881 ' ' GLU . 13.1 p -135.2 82.98 40.09 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.816 0.341 . . . . 1.4299999999999999 111.13 -173.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.38 -23.67 37.8 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.549 2.166 . . . . 1.02 112.428 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.59 -23.19 61.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.325 -0.398 . . . . 2.2400000000000002 111.337 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.464 ' HG2' ' HB2' ' A' 1878 ' ' SER . 25.2 mm-40 -76.6 -10.45 59.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.961 0.41 . . . . 1.8899999999999999 111.141 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1882 ' ' LEU . . . . . 0.436 HD12 HD13 ' A' 1937 ' ' LEU . 94.1 mt -69.27 -28.01 65.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 1.1399999999999999 111.207 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -63.68 -56.44 19.19 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.858 -0.687 . . . . 0.42999999999999999 113.436 -177.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.2 -32.32 90.58 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.258 1.972 . . . . 1.0 112.259 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.1 -41.79 63.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.373 -0.376 . . . . 1.0700000000000001 110.913 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -59.52 -32.66 70.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.291 0.567 . . . . 1.1000000000000001 109.737 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.08 -47.37 65.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.425 -0.807 . . . . 1.4299999999999999 111.418 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -69.56 -42.66 74.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.567 -0.288 . . . . 1.0700000000000001 110.905 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1889 ' ' LEU . . . . . 0.555 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 44.0 tp -54.48 -39.97 68.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 1.05 109.894 178.215 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1890 ' ' THR . . . . . 0.58 HG23 ' HB2' ' A' 1827 ' ' MET . 82.8 m -68.28 -49.09 62.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.541 -0.754 . . . . 1.0800000000000001 111.731 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 72.9 p -67.14 -47.19 71.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.267 0.556 . . . . 1.72 111.29 -173.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -32.62 73.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.283 -0.871 . . . . 0.80000000000000004 110.862 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.36 -42.44 98.71 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.98 0.419 . . . . 1.05 109.929 171.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.71 -29.37 61.29 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.613 -0.722 . . . . 0.34000000000000002 112.351 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1895 ' ' ARG . . . . . 0.419 ' HB2' HG21 ' A' 1860 ' ' THR . 68.0 mtt180 -65.76 -48.73 70.87 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.398 0.618 . . . . 3.48 109.608 178.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1896 ' ' LEU . . . . . 0.589 HD21 ' HB ' ' A' 1860 ' ' THR . 40.6 mt -61.74 -38.84 89.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.618 -0.719 . . . . 1.45 110.754 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1897 ' ' ALA . . . . . 0.473 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -66.34 -26.12 67.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.752 -0.658 . . . . 1.1499999999999999 111.942 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 7.6 p -91.92 -31.43 15.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.823 -0.351 . . . . 1.8899999999999999 111.31 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -77.42 -30.16 53.35 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.805 0.298 . . . . 1.5600000000000001 111.805 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.62 79.15 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.97 0.729 . . . . 1.0700000000000001 112.97 -172.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1901 ' ' LYS . . . . . 0.614 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 56.4 mtpt -67.96 -53.59 19.66 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 120.865 -0.334 . . . . 2.8500000000000001 111.725 -177.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1902 ' ' PRO . . . . . 0.614 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 45.0 Cg_exo -59.05 -34.65 99.01 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.975 1.784 . . . . 0.87 112.208 173.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.53 98.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.867 0.365 . . . . 1.0700000000000001 110.695 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.15 84.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.638 . . . . 1.0800000000000001 111.163 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 21.5 t -75.31 -29.55 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.974 -0.557 . . . . 1.9199999999999999 110.759 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.25 -18.04 59.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 1.1699999999999999 111.164 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -72.77 149.58 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.496 . . . . 1.23 110.69 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.45 -18.73 61.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.247 0.546 . . . . 2.6699999999999999 110.803 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1909 ' ' ASN . . . . . 0.574 ' HB3' HG12 ' A' 1912 ' ' ILE . 44.9 t-20 -128.47 132.39 48.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.781 -0.645 . . . . 2.4900000000000002 109.76 -174.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.54 -32.05 73.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.035 0.445 . . . . 2.2400000000000002 110.281 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -65.78 -34.1 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.928 -0.578 . . . . 2.4900000000000002 110.249 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1912 ' ' ILE . . . . . 0.574 HG12 ' HB3' ' A' 1909 ' ' ASN . 36.1 mm -66.33 -42.44 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.057 -0.52 . . . . 1.3899999999999999 109.612 176.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.48 -44.88 97.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.902 -0.666 . . . . 0.57999999999999996 111.902 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.74 94.47 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.308 0.575 . . . . 1.22 110.236 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1915 ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -59.78 -37.05 77.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.077 -0.965 . . . . 2.1800000000000002 110.803 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1916 ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' 1912 ' ' ILE . 92.3 mt -67.78 -54.85 19.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 1.1299999999999999 111.054 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1917 ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.6 ptpt -67.22 -31.56 72.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 1.8100000000000001 111.811 -174.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 36.4 m170 -68.02 -31.81 71.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 2.52 110.663 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1919 ' ' ARG . . . . . 0.699 ' HB3' HG23 ' A' 1964 ' ' VAL . 17.8 mmm180 -70.44 -31.47 68.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.321 -0.399 . . . . 3.1499999999999999 110.761 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 22.0 t -71.9 -31.42 40.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.4 -0.364 . . . . 1.1200000000000001 110.106 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1921 ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.4 mm-40 -57.72 -36.76 72.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.301 0.572 . . . . 1.22 109.923 175.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1922 ' ' GLU . . . . . 0.545 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 17.7 mm-40 -59.68 -49.36 78.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.175 -0.92 . . . . 1.49 111.22 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 15.3 mt -66.8 -32.01 73.02 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 109.256 -0.646 . . . . 1.3700000000000001 109.256 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.94 -52.39 35.23 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.303 -0.951 . . . . 0.64000000000000001 111.44 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -72.16 -33.95 68.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.652 0.263 . . . . 0.85999999999999999 110.82 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1926 ' ' GLY . . . . . 0.451 ' HA3' HG22 ' A' 1957 ' ' VAL . . . -73.11 -54.38 7.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.989 -0.624 . . . . 0.28000000000000003 112.189 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1927 ' ' CYS . . . . . 0.555 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 14.1 t -55.03 -49.99 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.991 0.517 . . . . 1.6599999999999999 110.635 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1928 ' ' SER . . . . . 0.411 ' OG ' HG21 ' A' 1831 ' ' ILE . 47.3 m -51.63 -52.44 47.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.948 0.404 . . . . 1.5 110.648 177.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.32 96.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 1.01 111.07 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1930 ' ' LEU . . . . . 0.488 HD12 HG21 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.44 -52.98 62.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.939 -0.573 . . . . 1.0700000000000001 110.892 -177.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1931 ' ' VAL . . . . . 0.462 ' HB ' HG12 ' A' 1824 ' ' VAL . 23.6 m -66.41 -36.01 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.68 0.276 . . . . 1.0800000000000001 110.898 -177.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 100.0 m -63.56 -46.51 85.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.137 0.494 . . . . 1.4099999999999999 110.367 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1933 ' ' LYS . . . . . 0.474 ' HE3' HG22 ' A' 1946 ' ' THR . 37.1 tptt -67.09 -39.34 86.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.831 -0.622 . . . . 1.6799999999999999 110.286 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.33 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 1.03 111.272 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.22 -44.08 97.59 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.681 -0.771 . . . . 0.42999999999999999 111.879 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -78.0 -29.67 49.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.691 0.281 . . . . 1.3100000000000001 111.36 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1937 ' ' LEU . . . . . 0.436 HD13 HD12 ' A' 1882 ' ' LEU . 3.2 tm? -69.07 -37.42 78.49 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 109.825 -0.435 . . . . 1.1200000000000001 109.825 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -71.63 -24.81 61.94 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.909 0.385 . . . . 1.46 110.779 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.5 t -72.01 -29.7 64.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.277 -0.42 . . . . 2.3599999999999999 109.949 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 15.4 m -136.66 65.33 54.01 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.399 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.83 -14.36 41.26 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.415 2.076 . . . . 0.72999999999999998 112.723 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 74.3 m -84.39 -14.29 49.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.84 -0.618 . . . . 1.95 111.252 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.12 127.33 32.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.831 0.348 . . . . 1.1599999999999999 110.124 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 35.1 t -79.55 -40.59 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.25 -0.432 . . . . 1.96 111.341 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1945 ' ' TYR . . . . . 0.406 ' O ' ' HG3' ' A' 1949 ' ' GLU . 35.0 t80 -64.89 -45.09 87.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.355 -0.384 . . . . 2.25 111.253 -173.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1946 ' ' THR . . . . . 0.474 HG22 ' HE3' ' A' 1933 ' ' LYS . 28.7 m -59.69 -41.7 91.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.062 0.458 . . . . 1.1200000000000001 110.853 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -68.57 -42.76 77.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 1.8500000000000001 110.213 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 61.8 tttp -52.98 -44.06 66.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.471 -0.786 . . . . 3.1899999999999999 110.65 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1949 ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' 1945 ' ' TYR . 42.9 mt-10 -66.48 -45.79 78.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.931 -0.577 . . . . 1.53 110.999 177.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.98 -42.99 99.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.465 -0.334 . . . . 1.0900000000000001 111.209 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1951 ' ' ILE . . . . . 0.537 ' O ' ' HG3' ' A' 1955 ' ' ARG . 84.5 mt -56.08 -43.64 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.964 0.412 . . . . 1.1100000000000001 110.075 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1952 ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' 1956 ' ' ARG . 23.0 mm-40 -64.58 -43.17 94.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.959 -0.564 . . . . 2.1099999999999999 110.866 177.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1953 ' ' CYS . . . . . 0.525 ' O ' HG23 ' A' 1957 ' ' VAL . 70.9 m -57.1 -45.35 83.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 1.6799999999999999 110.557 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.45 98.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 1.0800000000000001 111.163 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1955 ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' 1951 ' ' ILE . 79.7 mtp180 -57.7 -43.79 85.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 3.7200000000000002 110.923 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1956 ' ' ARG . . . . . 0.61 ' O ' ' HG2' ' A' 1960 ' ' LYS . 69.2 mtp180 -66.48 -42.17 87.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 3.6299999999999999 111.033 -177.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1957 ' ' VAL . . . . . 0.748 ' HB ' HG22 ' A' 1868 ' ' VAL . 57.4 t -61.39 -40.5 86.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.779 0.323 . . . . 1.0600000000000001 110.352 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 19.2 m -59.07 -38.48 79.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 1.6599999999999999 110.776 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1959 ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' 1955 ' ' ARG . 74.9 mt-10 -67.82 -37.96 82.64 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.24 0.543 . . . . 1.8600000000000001 110.449 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1960 ' ' LYS . . . . . 0.625 ' O ' HG21 ' A' 1964 ' ' VAL . 74.4 mmtt -62.15 -41.79 98.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.716 -0.674 . . . . 1.4199999999999999 110.792 -178.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1961 ' ' VAL . . . . . 0.757 HG11 ' HB2' ' A' 1865 ' ' ALA . 46.8 t -53.17 -48.8 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 123.734 0.646 . . . . 1.0800000000000001 111.639 -176.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 16.8 t -59.91 -36.32 76.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 1.54 110.482 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1963 ' ' HIS . . . . . 0.43 ' HB2' ' NH2' ' A' 1919 ' ' ARG . 35.7 m170 -76.25 -26.46 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.508 -0.314 . . . . 1.8899999999999999 110.849 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1964 ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' 1919 ' ' ARG . 48.7 t -72.14 -45.14 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.666 -0.494 . . . . 1.1200000000000001 109.666 174.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1965 ' ' LEU . . . . . 0.516 ' O ' ' HG2' ' A' 1969 ' ' GLN . 73.9 mt -57.71 -47.7 81.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 1.0800000000000001 110.531 176.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.49 70.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.71 -0.677 . . . . 1.1200000000000001 111.503 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1967 ' ' ALA . . . . . 0.647 ' HB3' ' HG3' ' A' 1919 ' ' ARG . . . -62.55 -44.59 95.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.509 -0.314 . . . . 1.0900000000000001 110.63 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1968 ' ' LEU . . . . . 0.627 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -64.92 -40.11 94.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.051 -0.522 . . . . 1.1000000000000001 110.248 176.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1969 ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' 1965 ' ' LEU . 31.3 mm-40 -60.62 -28.5 68.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 1.7 111.1 -178.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -75.65 -20.53 58.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.46 111.327 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -89.25 -20.12 46.97 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.771 -0.728 . . . . 2.0 112.398 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1972 ' ' ASN . . . . . 0.462 ' HB2' HE22 ' A' 1854 ' ' GLN . 3.5 t-20 -84.05 123.26 29.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.839 -0.43 . . . . 5.0099999999999998 109.839 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.664 -0.684 . . . . 8.1600000000000001 109.942 -178.926 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 121.343 0.592 . . . . 0.74 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.73 -30.53 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.434 -0.803 . . . . 0.87 109.96 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 45.9 m -63.88 -36.91 85.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.578 -0.737 . . . . 0.97 110.876 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' 1835 ' ' ILE . 65.0 mt -66.96 -44.51 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.027 0.441 . . . . 0.32 110.228 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 31.7 m -61.91 -35.21 77.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.272 0.558 . . . . 0.61 110.416 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -66.08 -41.64 90.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.842 -0.617 . . . . 2.49 110.232 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' A' 1837 ' ' GLN . . . -62.0 -34.12 75.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.989 -0.551 . . . . 0.34 111.05 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1835 ' ' ILE . . . . . 0.404 HD11 ' C ' ' A' 1924 ' ' GLY . 62.0 mt -64.96 -48.34 84.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.121 -0.49 . . . . 0.49 110.423 175.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -66.65 -40.38 88.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.72 111.832 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1837 ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.2 pt20 -62.5 -34.08 76.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 1.0 110.996 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.66 0.266 . . . . 0.79 110.759 179.742 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' 1916 ' ' ILE . 57.2 t80 . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.805 0.336 . . . . 0.68 110.595 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.5 p -58.02 -33.45 46.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.068 -0.515 . . . . 0.79 112.07 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -69.25 -44.39 72.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.031 0.443 . . . . 1.71 110.514 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 80.2 m-85 -73.42 -33.4 64.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.106 -0.497 . . . . 1.07 110.555 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.735 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 30.8 tt0 -55.03 -57.23 12.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 0.99 110.505 173.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.53 ' O ' ' HG3' ' A' 1859 ' ' ARG . 10.5 p -62.98 -30.33 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.484 -0.78 . . . . 1.46 111.457 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 44.1 m -69.37 -49.1 58.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.739 0.304 . . . . 0.42 110.675 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.409 ' SD ' ' HA ' ' A' 1900 ' ' ALA . 67.9 mtp -65.13 -41.94 94.36 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.132 0.419 . . . . 0.71 112.132 -176.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.694 ' O ' ' HG3' ' A' 1862 ' ' LYS . 29.1 m -61.89 -32.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.456 -0.498 . . . . 0.29 110.809 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' 1855 ' ' THR . 96.4 mtt180 -66.98 -46.76 73.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.712 0.292 . . . . 3.02 110.503 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.487 ' HB ' HD21 ' A' 1896 ' ' LEU . 2.6 m -68.1 -31.92 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.374 -0.376 . . . . 0.35 110.79 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.548 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.97 -45.33 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.25 110.525 176.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' A' 1858 ' ' VAL . 84.1 mttt -63.75 -28.25 69.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.107 0.48 . . . . 1.31 110.183 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1863 ' ' ALA . . . . . 0.417 ' O ' HG12 ' A' 1866 ' ' VAL . . . -72.45 -38.3 68.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.41 111.37 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.739 HD11 HG22 ' A' 1961 ' ' VAL . 1.7 pp -76.96 -26.47 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.374 -0.53 . . . . 0.28 109.767 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.632 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -66.65 -38.86 87.74 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.809 -0.632 . . . . 0.2 111.395 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' 1863 ' ' ALA . 13.0 p -71.54 -30.46 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.694 -0.403 . . . . 0.73 110.254 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.562 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.7 m -67.27 -53.53 29.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.25 110.744 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.727 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.8 p -62.05 -37.21 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 0.28 111.157 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.418 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -68.97 -26.1 64.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.292 0.568 . . . . 0.91 109.838 179.156 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.6 tp10 -77.28 -38.4 50.86 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.696 -0.483 . . . . 0.57 109.696 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' 1867 ' ' THR . 83.0 mtp -64.16 -42.22 96.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 1.25 111.117 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' 1869 ' ' GLN . 11.6 p -62.54 -31.34 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.459 0.647 . . . . 0.59 110.57 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 98.1 m -81.09 -51.15 8.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.238 -0.892 . . . . 0.44 111.083 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 6.0 mmpt? -63.48 -25.96 68.5 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 112.538 0.57 . . . . 1.4 112.538 -175.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 33.5 p -61.43 -24.51 66.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.152 0.501 . . . . 1.11 111.307 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -80.5 -32.18 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.9 -0.591 . . . . 0.76 111.685 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 16.5 p -109.3 -45.73 3.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.281 0.562 . . . . 1.32 112.466 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 60.5 m -131.66 88.83 41.56 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.702 -0.681 . . . . 1.17 110.874 -168.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.99 -21.57 32.22 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.555 2.17 . . . . 0.67 112.842 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1880 ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' 1880 ' ' GLU . 0.5 OUTLIER -86.01 -14.98 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 2.24 110.86 -178.155 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -80.88 -9.95 59.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 1.89 110.712 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.472 HD12 HD12 ' A' 1937 ' ' LEU . 98.4 mt -69.04 -33.74 74.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 0.34 111.22 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1883 ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.17 -55.4 28.1 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.102 -0.57 . . . . 0.38 113.437 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' 1883 ' ' GLY . 16.8 Cg_endo -60.2 -30.85 92.17 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.329 2.019 . . . . 0.58 112.613 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.98 -41.37 51.5 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 121.183 -0.207 . . . . 0.37 110.553 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.75 72.98 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.59 -0.522 . . . . 0.36 109.59 173.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -65.9 -40.66 91.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.557 -0.747 . . . . 1.43 110.087 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -68.36 -44.12 75.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.264 -0.88 . . . . 1.07 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.576 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 33.7 tp -60.75 -40.26 91.8 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.437 -0.579 . . . . 0.25 109.437 176.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 55.8 m -65.33 -45.69 83.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.424 -0.807 . . . . 0.28 111.669 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 68.7 p -70.46 -50.87 33.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 1.17 111.528 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.449 ' HB3' HG22 ' A' 1864 ' ' ILE . 21.9 m-20 -58.02 -41.14 82.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.189 -0.459 . . . . 0.8 111.266 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.28 -41.27 98.98 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.858 -0.337 . . . . 0.31 110.437 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.95 -39.31 88.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.96 -0.638 . . . . 0.31 111.847 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -67.86 -43.48 79.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.411 0.148 . . . . 3.04 110.795 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.487 HD21 ' HB ' ' A' 1860 ' ' THR . 8.9 mt -60.25 -41.26 92.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.272 . . . . 0.86 111.263 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.35 -25.85 68.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.244 -0.435 . . . . 0.49 111.096 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 32.9 t -81.75 -36.1 28.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 1.38 110.071 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.401 ' O ' ' HD2' ' A' 1902 ' ' PRO . 53.6 mt-30 -77.51 -24.89 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.713 -0.676 . . . . 1.56 111.727 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1900 ' ' ALA . . . . . 0.409 ' HA ' ' SD ' ' A' 1857 ' ' MET . . . -65.3 -36.22 83.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.264 -0.425 . . . . 0.34 112.119 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.687 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 85.4 mttt -62.97 -53.99 50.59 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 112.1 0.408 . . . . 2.27 112.1 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.687 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 34.8 Cg_exo -61.07 -29.74 88.05 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.155 1.903 . . . . 0.6 112.302 176.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -69.05 -47.37 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.821 0.343 . . . . 0.39 110.634 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.86 94.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.46 111.446 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' 1902 ' ' PRO . 8.2 p -76.01 -25.2 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.395 . . . . 1.26 111.696 -178.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.63 -13.51 60.05 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.237 0.541 . . . . 0.64 110.687 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -76.57 143.63 40.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.565 -0.743 . . . . 0.85 110.44 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1908 ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' 1908 ' ' GLU . 0.0 OUTLIER -90.02 7.69 36.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.786 -0.643 . . . . 2.67 110.552 -177.237 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.481 ' HB3' HG12 ' A' 1912 ' ' ILE . 50.0 t-20 -143.35 129.01 19.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.729 -0.669 . . . . 2.18 109.544 -176.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.3 -41.27 96.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 2.24 110.121 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1911 ' ' GLU . . . . . 0.618 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.0 OUTLIER -61.5 -25.1 67.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.41 -0.359 . . . . 2.49 111.464 179.711 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.481 HG12 ' HB3' ' A' 1909 ' ' ASN . 46.5 mm -80.15 -47.23 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.58 0.228 . . . . 0.89 110.504 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.94 96.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.555 -0.831 . . . . 0.51 111.71 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1914 ' ' ALA . . . . . 0.5 ' HA ' ' CD ' ' A' 1917 ' ' LYS . . . -65.58 -26.13 67.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.228 0.537 . . . . 0.46 110.58 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.618 ' HB2' ' O ' ' A' 1911 ' ' GLU . 2.1 t-80 -71.96 -39.22 69.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 1.62 109.814 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' 1850 ' ' PHE . 88.8 mt -68.14 -55.03 17.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.627 -0.715 . . . . 0.4 111.083 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' 1921 ' ' GLN . 19.2 ptmt -58.14 -38.58 76.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 1.36 111.334 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1918 ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' 1922 ' ' GLU . 20.9 t-80 -70.36 -28.57 65.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.611 -0.268 . . . . 1.91 110.772 -177.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.662 ' HB3' HG22 ' A' 1964 ' ' VAL . 52.2 mmt-85 -74.65 -33.13 62.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.847 0.356 . . . . 2.55 110.461 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 13.9 t -71.22 -27.16 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.319 -0.623 . . . . 0.35 109.319 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' 1917 ' ' LYS . 12.4 mm100 -65.56 -42.46 91.83 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.947 -0.57 . . . . 1.22 109.465 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' 1918 ' ' HIS . 39.3 mm-40 -52.51 -50.56 62.54 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.749 -0.66 . . . . 1.49 109.686 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' 1923 ' ' LEU . 16.9 mt -61.98 -40.69 96.48 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.135 -0.939 . . . . 0.67 111.111 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1924 ' ' GLY . . . . . 0.404 ' C ' HD11 ' A' 1835 ' ' ILE . . . -55.46 -49.48 64.44 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.015 -0.612 . . . . 0.64 112.314 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -63.78 -40.21 96.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.857 0.36 . . . . 0.69 110.66 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.29 -51.48 13.2 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.806 -0.711 . . . . 0.25 112.107 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.576 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 35.0 t -53.87 -49.04 69.37 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.857 0.463 . . . . 1.22 110.628 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.8 t -55.62 -46.89 77.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.52 -0.764 . . . . 1.03 110.707 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.17 89.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 0.28 110.97 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.583 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -62.93 -47.84 81.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.476 -0.329 . . . . 0.28 110.603 -177.777 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 23.7 m -68.99 -35.67 70.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.732 -0.387 . . . . 0.26 111.663 -175.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 15.1 t -72.66 -30.34 64.19 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.421 -0.511 . . . . 0.8 110.38 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -69.82 -41.35 75.09 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 110.297 -0.26 . . . . 1.27 110.297 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.28 91.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.46 -0.336 . . . . 0.3 110.57 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.73 -52.08 55.12 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.702 -0.761 . . . . 0.4 111.668 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.09 -26.75 66.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.715 0.293 . . . . 0.5 111.601 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.472 HD12 HD12 ' A' 1882 ' ' LEU . 2.8 tm? -74.32 -37.31 63.63 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.823 -0.436 . . . . 0.41 109.823 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -69.4 -26.13 64.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.97 0.414 . . . . 1.06 111.108 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 72.7 m -67.74 -30.58 70.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.985 -0.552 . . . . 1.43 110.523 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.1 m -150.25 78.35 7.9 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.207 -0.451 . . . . 0.8 110.036 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.98 -15.52 27.93 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.384 2.723 . . . . 0.69 112.593 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 47.6 t -82.85 -20.82 34.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.524 -0.762 . . . . 1.54 111.506 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 24.5 t70 -73.76 108.67 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.131 0.491 . . . . 1.16 110.858 -174.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 13.0 m -65.79 -35.87 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.662 -0.699 . . . . 1.33 112.133 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.447 ' O ' ' HG3' ' A' 1949 ' ' GLU . 48.9 t80 -63.08 -48.45 78.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.734 -0.212 . . . . 1.91 111.117 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 57.3 m -59.19 -42.47 90.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.02 0.438 . . . . 0.6 110.621 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.449 ' O ' HG13 ' A' 1951 ' ' ILE . 38.7 ttpt -64.09 -40.14 95.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.851 -0.613 . . . . 1.2 110.324 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.77 -42.55 97.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.963 -0.562 . . . . 2.67 110.824 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 1945 ' ' TYR . 45.0 mt-10 -61.76 -39.91 93.31 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.338 -0.392 . . . . 1.53 110.218 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.64 -41.74 99.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.31 110.527 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' 1947 ' ' LYS . 83.9 mt -60.86 -42.63 93.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.926 -0.398 . . . . 0.35 109.926 176.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' A' 1956 ' ' ARG . 62.8 mm-40 -60.51 -49.61 76.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.17 -0.468 . . . . 2.11 110.231 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.585 ' O ' HG23 ' A' 1957 ' ' VAL . 72.3 m -57.27 -46.38 83.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.919 -0.582 . . . . 0.88 111.047 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -58.47 -45.01 89.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.979 0.418 . . . . 0.25 111.028 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' 1959 ' ' GLU . 99.5 mtt180 -59.22 -47.63 84.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.045 -0.525 . . . . 3.21 110.397 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' 1952 ' ' GLU . 95.9 mtt180 -58.35 -42.22 86.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 3.16 111.026 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.727 ' HB ' HG21 ' A' 1868 ' ' VAL . 62.0 t -63.07 -53.79 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.3 110.57 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.1 t -58.33 -37.91 76.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 1.13 110.915 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' 1955 ' ' ARG . 50.3 mt-10 -62.68 -45.16 94.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.165 0.507 . . . . 1.86 110.783 177.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.558 ' O ' HG23 ' A' 1964 ' ' VAL . 31.6 mmtp -69.59 -27.31 64.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.65 111.86 -175.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.739 HG22 HD11 ' A' 1864 ' ' ILE . 42.4 t -54.23 -44.13 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 120.893 0.378 . . . . 0.27 110.229 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 35.3 t -61.1 -39.47 90.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.742 -0.663 . . . . 1.3 110.495 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 74.8 m80 -66.8 -38.3 86.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 1.11 110.292 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.662 HG22 ' HB3' ' A' 1919 ' ' ARG . 48.5 t -63.84 -52.58 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.35 110.191 177.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 86.6 mt -54.34 -48.82 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.732 -0.667 . . . . 0.35 111.382 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.47 -24.38 67.6 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.143 0.424 . . . . 0.4 112.143 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -70.26 -25.2 63.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.694 0.283 . . . . 0.46 111.366 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.735 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.1 mm? -73.67 -43.35 59.63 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.853 0.686 . . . . 0.5 112.853 -174.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -65.85 -14.75 62.04 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.458 0.54 . . . . 1.7 112.458 -172.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.711 0.291 . . . . 0.93 111.495 179.757 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--O 1.233 0.189 0 CA-C-O 121.117 0.484 . . . . 0.74 110.143 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.8 -47.96 70.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.814 -0.63 . . . . 0.87 110.337 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.8 m -54.94 -41.26 70.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 0.97 110.627 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.428 ' O ' HG13 ' A' 1835 ' ' ILE . 71.6 mt -63.05 -48.29 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.32 110.425 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 63.2 m -61.1 -44.62 97.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 0.61 111.624 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -67.37 -34.31 77.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.949 0.404 . . . . 2.49 110.518 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -64.62 -27.94 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 0.34 110.953 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1835 ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' 1831 ' ' ILE . 72.5 mt -70.84 -47.64 61.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.997 -0.547 . . . . 0.49 110.317 175.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -55.92 -51.56 67.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.808 -0.633 . . . . 0.72 112.064 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -55.86 -35.98 67.07 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.411 0.523 . . . . 1.0 112.411 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.728 0.299 . . . . 0.79 111.329 -175.575 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 78.3 t80 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 110.568 -0.16 . . . . 0.68 110.568 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 10.6 p -59.14 -33.72 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.464 -0.334 . . . . 0.79 111.288 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.16 -46.88 75.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.199 0.523 . . . . 1.71 110.4 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -73.68 -36.65 65.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.98 -0.555 . . . . 1.07 110.879 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.658 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.8 tt0 -54.78 -55.41 30.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.334 -0.393 . . . . 0.99 110.67 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 13.2 p -61.57 -39.12 90.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.051 -0.522 . . . . 1.46 111.232 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 28.2 m -69.57 -34.26 73.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.029 0.442 . . . . 0.42 110.696 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 82.5 mtp -75.2 -47.32 28.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.639 -0.255 . . . . 0.71 111.425 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -62.53 -36.91 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.47 -0.492 . . . . 0.29 110.788 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -63.28 -48.15 79.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 3.02 110.815 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.472 ' O ' HG23 ' A' 1864 ' ' ILE . 44.8 m -67.05 -38.16 85.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.959 -0.564 . . . . 0.35 111.062 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.577 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.37 -48.52 77.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.664 0.268 . . . . 0.25 110.643 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' 1858 ' ' VAL . 55.4 mtmt -62.11 -26.06 68.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.729 0.299 . . . . 1.31 111.017 175.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -73.67 -46.03 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.568 -0.287 . . . . 0.41 110.904 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.683 HD11 HG22 ' A' 1961 ' ' VAL . 1.6 pp -68.81 -25.56 30.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.35 . . . . 0.28 110.084 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.669 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -64.09 -37.06 86.09 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 115.978 -0.556 . . . . 0.2 110.621 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 59.2 t -65.86 -37.43 79.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 0.73 109.852 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 60.6 m -64.01 -46.15 85.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 0.25 111.075 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.865 HG21 ' HB ' ' A' 1957 ' ' VAL . 7.1 p -74.12 -29.78 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.723 0.297 . . . . 0.28 111.224 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -73.25 -26.71 61.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.331 0.586 . . . . 0.91 109.445 176.402 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.1 tp10 -76.46 -33.13 58.72 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.436 -0.579 . . . . 0.57 109.436 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.532 ' SD ' HD22 ' A' 1882 ' ' LEU . 3.7 mmt -53.52 -56.04 20.36 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.206 -0.452 . . . . 1.25 111.448 176.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.656 HG23 HG23 ' A' 1951 ' ' ILE . 11.1 p -60.15 -34.95 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.502 0.667 . . . . 0.59 110.968 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 53.9 m -75.09 -48.38 24.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.18 -0.918 . . . . 0.44 111.095 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.867 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -70.58 -28.1 64.62 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 116.351 -0.386 . . . . 1.4 111.662 -177.733 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.408 ' HA ' HD11 ' A' 1882 ' ' LEU . 22.7 t -61.89 -27.37 68.76 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.131 0.491 . . . . 1.11 110.345 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -81.61 -35.46 30.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.705 -0.679 . . . . 0.76 111.71 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 24.0 p -109.59 -35.63 6.17 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.878 1.066 . . . . 1.32 113.878 -171.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1878 ' ' SER . . . . . 0.426 ' HA ' ' HD2' ' A' 1879 ' ' PRO . 75.2 m -148.62 89.16 5.11 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.802 0.334 . . . . 1.17 111.363 -169.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' 1878 ' ' SER . 34.8 Cg_endo -64.36 -24.97 64.09 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.973 2.448 . . . . 0.67 112.782 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.2 -22.8 62.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 2.24 111.106 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.664 ' O ' ' HG ' ' A' 1885 ' ' LEU . 70.6 mm-40 -75.05 -21.89 58.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.432 -0.349 . . . . 1.89 110.754 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.532 HD22 ' SD ' ' A' 1871 ' ' MET . 90.2 mt -66.07 -35.83 81.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.521 . . . . 0.34 111.746 -173.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -58.58 -55.14 32.42 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.741 -0.743 . . . . 0.38 112.998 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' 1881 ' ' GLU . 49.2 Cg_exo -59.34 -39.06 80.78 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.679 2.253 . . . . 0.58 112.75 174.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' 1881 ' ' GLU . 68.6 mt -65.36 -41.08 94.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 110.306 -0.257 . . . . 0.37 110.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -55.34 -36.36 66.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.36 109.881 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -73.66 -43.76 58.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.042 -0.527 . . . . 1.43 111.475 -176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.11 -37.11 80.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.847 0.356 . . . . 1.07 110.439 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.425 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 45.5 tp -64.31 -32.61 74.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.25 109.863 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 53.5 m -72.91 -49.54 28.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 0.28 111.459 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 81.0 p -70.55 -48.02 57.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.131 0.491 . . . . 1.17 111.007 -172.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.436 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.0 OUTLIER -64.94 -29.3 70.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 0.8 111.367 178.78 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 41.4 t80 -64.07 -42.81 96.85 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.889 -0.412 . . . . 0.31 109.889 172.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.24 -32.84 57.52 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.828 -0.624 . . . . 0.31 112.361 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -63.89 -53.88 43.5 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.369 -0.604 . . . . 3.04 109.369 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' 1861 ' ' ALA . 83.2 mt -57.26 -44.61 84.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.303 -0.862 . . . . 0.86 111.058 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1897 ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -60.19 -40.66 90.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.58 -0.736 . . . . 0.49 111.801 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 18.3 t -76.81 -38.07 54.58 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.955 -0.298 . . . . 1.38 110.72 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.55 ' O ' ' HD2' ' A' 1902 ' ' PRO . 71.1 mt-30 -68.22 -25.27 65.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.555 -0.293 . . . . 1.56 111.645 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.68 -25.64 64.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.34 111.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.839 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 1.5 mmmm -62.06 -55.55 39.85 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.097 -0.501 . . . . 2.27 111.297 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.839 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 11.1 Cg_exo -72.94 -29.66 11.87 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.2 1.933 . . . . 0.6 112.386 175.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.74 89.1 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.888 0.375 . . . . 0.39 110.71 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.4 90.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 0.46 111.533 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' 1902 ' ' PRO . 10.0 p -75.73 -24.8 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.827 0.346 . . . . 1.26 111.426 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.43 -10.76 58.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.025 0.44 . . . . 0.64 111.072 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -79.22 155.39 28.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.913 -0.585 . . . . 0.85 110.693 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -71.24 -66.66 0.59 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.052 0.453 . . . . 2.67 110.936 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.899 ' HB2' HG12 ' A' 1912 ' ' ILE . 42.2 m-80 -84.93 150.52 24.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.94 -0.573 . . . . 2.18 110.95 -176.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -63.54 -38.72 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.799 -0.445 . . . . 2.24 109.799 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.7 -40.75 66.28 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.269 -0.423 . . . . 2.49 110.987 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.899 HG12 ' HB2' ' A' 1909 ' ' ASN . 37.6 mm -62.99 -51.18 75.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.223 -0.444 . . . . 0.89 110.167 -177.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.73 -39.79 95.43 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.757 -0.735 . . . . 0.51 112.018 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.24 -40.7 94.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.936 0.398 . . . . 0.46 110.673 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' 1919 ' ' ARG . 30.8 m-70 -64.45 -47.51 78.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.208 -0.451 . . . . 1.62 110.539 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' 1912 ' ' ILE . 93.7 mt -56.36 -53.87 34.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.558 0.218 . . . . 0.4 111.328 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.656 ' O ' ' HG2' ' A' 1921 ' ' GLN . 16.7 ptpt -60.32 -38.97 85.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.402 -0.363 . . . . 1.36 110.93 -177.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 60.3 m170 -70.5 -30.12 66.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.699 0.285 . . . . 1.91 111.224 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.789 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 21.8 mmt85 -71.99 -31.48 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.415 -0.357 . . . . 2.55 110.658 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' 1897 ' ' ALA . 23.3 t -74.3 -27.52 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.717 -0.475 . . . . 0.35 109.717 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.656 ' HG2' ' O ' ' A' 1917 ' ' LYS . 10.4 mm100 -63.17 -38.88 92.9 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.182 -0.673 . . . . 1.22 109.182 172.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.921 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 13.6 mm-40 -56.02 -51.36 68.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.091 -0.959 . . . . 1.49 110.007 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.39 -41.24 93.41 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.316 -0.857 . . . . 0.67 110.823 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.44 -51.79 49.22 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.928 -0.653 . . . . 0.64 112.111 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -60.98 -46.23 91.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.967 0.413 . . . . 0.69 110.581 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.6 -50.68 41.3 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.729 -0.748 . . . . 0.25 112.637 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.425 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 27.4 t -56.7 -49.86 73.86 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.384 0.274 . . . . 1.22 110.713 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 20.3 m -50.9 -51.23 53.94 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.081 0.467 . . . . 1.03 110.622 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.26 -44.7 90.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.669 . . . . 0.28 111.469 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.53 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.83 -53.22 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.28 110.687 -177.08 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 22.7 m -66.35 -29.45 46.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.26 111.111 -176.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 90.5 m -72.31 -43.32 64.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.99 -0.55 . . . . 0.8 110.825 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.906 ' HE3' HG23 ' A' 1946 ' ' THR . 36.4 tptt -68.93 -32.74 72.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.358 -0.383 . . . . 1.27 110.548 -176.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.08 87.19 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.289 -0.414 . . . . 0.3 111.495 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.46 93.88 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.769 . . . . 0.4 111.916 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.33 -31.91 62.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 0.5 110.86 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' 1937 ' ' LEU . 2.4 tm? -71.87 -32.35 67.39 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.767 -0.457 . . . . 0.41 109.767 -178.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -70.27 -25.64 63.45 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.662 -0.415 . . . . 1.06 110.749 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 75.7 m -76.06 -18.42 59.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 1.43 110.629 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.8 m -155.14 73.06 5.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.438 -0.578 . . . . 0.8 109.438 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.36 -17.48 60.26 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.905 2.404 . . . . 0.69 112.786 -174.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 19.4 m -91.08 -12.21 36.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.804 -0.634 . . . . 1.54 110.795 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.68 113.92 13.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 1.16 111.296 -174.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.5 m -68.16 -35.3 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 1.33 112.233 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.51 -54.65 44.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.851 0.358 . . . . 1.91 110.728 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.906 HG23 ' HE3' ' A' 1933 ' ' LYS . 26.4 m -62.05 -41.56 98.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.125 -0.489 . . . . 0.6 110.76 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.426 ' O ' HG13 ' A' 1951 ' ' ILE . 39.3 ttpt -63.24 -44.79 94.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.58 -0.737 . . . . 1.2 110.819 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.502 ' HE3' ' OE1' ' A' 1952 ' ' GLU . 27.5 ttpt -52.73 -50.58 63.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.039 -0.528 . . . . 2.67 111.138 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.488 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 17.4 mt-10 -64.86 -33.14 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.99 -0.55 . . . . 1.53 111.604 -175.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.54 -39.83 77.23 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.524 -0.547 . . . . 0.31 109.524 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.656 HG23 HG23 ' A' 1872 ' ' VAL . 82.6 mt -60.7 -38.67 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.892 -0.594 . . . . 0.35 109.701 174.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' A' 1956 ' ' ARG . 43.8 mt-10 -65.86 -47.16 75.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 2.11 110.413 174.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.531 ' O ' HG23 ' A' 1957 ' ' VAL . 98.6 m -56.41 -41.11 75.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.37 -0.377 . . . . 0.88 110.764 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.22 97.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 0.25 111.721 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' 1952 ' ' GLU . 14.0 ptm180 -74.42 -22.4 59.16 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.66 -0.416 . . . . 3.21 110.804 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' 1952 ' ' GLU . 79.3 mtt180 -72.76 -49.79 28.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 3.16 110.443 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.865 ' HB ' HG21 ' A' 1868 ' ' VAL . 80.5 t -62.55 -43.72 98.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.079 -0.51 . . . . 0.3 111.449 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 6.0 p -61.57 -31.62 71.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.334 . . . . 1.13 111.288 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' 1955 ' ' ARG . 58.3 mm-40 -70.37 -35.11 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.166 0.508 . . . . 1.86 110.857 176.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.921 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.4 mmtt -69.23 -36.85 77.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.99 -0.55 . . . . 0.65 110.46 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.683 HG22 HD11 ' A' 1864 ' ' ILE . 59.5 t -53.43 -52.24 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 O-C-N 123.46 0.475 . . . . 0.27 111.214 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.53 ' HA ' HD12 ' A' 1965 ' ' LEU . 15.7 m -60.18 -37.29 79.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 1.3 110.944 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.789 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 36.1 m80 -65.83 -35.77 81.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 1.11 110.787 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.631 HG22 ' HB3' ' A' 1919 ' ' ARG . 54.4 t -69.65 -45.97 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.939 0.399 . . . . 0.35 110.161 177.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' 1969 ' ' GLN . 61.8 mt -55.35 -47.85 75.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.592 . . . . 0.35 110.722 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -65.3 -25.85 67.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.8 -0.636 . . . . 0.4 111.721 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1967 ' ' ALA . . . . . 0.601 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -68.51 -39.98 81.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.46 110.32 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.658 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.3 mm? -64.71 -37.37 87.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.5 110.399 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1969 ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' 1965 ' ' LEU . 80.1 mm-40 -67.04 -14.97 63.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.884 -0.598 . . . . 1.7 111.38 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.028 0.442 . . . . 0.93 110.833 177.86 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 120.853 0.358 . . . . 0.74 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.64 -45.15 84.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.411 -0.359 . . . . 0.87 110.446 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.0 m -61.31 -37.82 84.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.97 110.411 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' 1835 ' ' ILE . 68.2 mt -65.15 -42.21 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.32 110.197 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 31.2 m -63.18 -47.95 80.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.997 -0.547 . . . . 0.61 111.058 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.14 -39.97 88.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.118 0.485 . . . . 2.49 110.458 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.533 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -60.24 -36.28 77.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.571 -0.741 . . . . 0.34 111.382 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1835 ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' 1831 ' ' ILE . 43.3 mt -67.19 -51.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.073 0.463 . . . . 0.49 110.493 176.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -64.83 -37.54 87.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.75 -0.659 . . . . 0.72 111.868 -172.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -64.14 -35.87 82.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.616 0.246 . . . . 1.0 111.35 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.79 110.875 179.238 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 88.6 t80 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.896 0.379 . . . . 0.68 110.92 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -61.62 -35.55 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.95 -0.568 . . . . 0.79 111.403 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.03 -50.98 52.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.968 0.413 . . . . 1.71 110.147 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.481 ' CZ ' ' HB2' ' A' 1902 ' ' PRO . 49.4 m-85 -61.57 -37.07 82.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.605 . . . . 1.07 111.172 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.667 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 46.4 tt0 -61.69 -54.4 43.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.622 -0.263 . . . . 0.99 110.708 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 28.5 m -57.05 -34.81 68.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.488 . . . . 1.46 110.763 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 56.3 m -74.36 -49.36 23.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.305 -0.407 . . . . 0.42 111.307 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.12 -35.8 81.93 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 112.03 0.381 . . . . 0.71 112.03 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.742 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.3 m -64.81 -35.93 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.869 -0.733 . . . . 0.29 110.027 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -66.89 -47.08 72.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.804 0.335 . . . . 3.02 110.266 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.459 ' HB ' HD21 ' A' 1896 ' ' LEU . 4.4 m -63.37 -36.15 82.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.479 . . . . 0.35 110.691 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' 1864 ' ' ILE . . . -65.4 -45.17 85.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.25 110.894 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.742 ' HG3' ' O ' ' A' 1858 ' ' VAL . 82.5 mttt -62.61 -32.63 73.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 1.31 110.171 177.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.59 95.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.41 111.278 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.718 HD11 HG22 ' A' 1961 ' ' VAL . 1.3 pp -75.75 -27.27 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.189 -0.604 . . . . 0.28 109.871 177.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.827 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.42 -37.74 74.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.25 -0.432 . . . . 0.2 111.481 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.563 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.9 p -73.63 -24.39 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.33 0.586 . . . . 0.73 109.875 176.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.554 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.5 m -69.92 -53.56 17.37 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.877 -0.601 . . . . 0.25 110.389 174.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' 1865 ' ' ALA . 2.6 p -62.64 -37.68 79.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.488 -0.324 . . . . 0.28 111.47 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.563 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.9 OUTLIER -64.43 -29.94 70.99 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.089 0.471 . . . . 0.91 109.795 178.201 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.86 -37.7 47.66 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 116.007 -0.542 . . . . 0.57 110.338 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.554 ' HG3' ' O ' ' A' 1867 ' ' THR . 86.9 mtp -63.66 -44.2 94.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.328 . . . . 1.25 110.94 -176.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' 1951 ' ' ILE . 7.8 p -62.61 -29.33 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.59 110.451 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 98.1 m -81.01 -55.12 4.99 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.104 -0.953 . . . . 0.44 111.085 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.455 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 6.8 mmpt? -59.0 -30.72 68.2 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.972 -0.558 . . . . 1.4 112.472 -174.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.409 ' OG ' HD22 ' A' 1950 ' ' LEU . 50.9 m -55.35 -23.98 26.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.127 0.489 . . . . 1.11 111.676 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -76.33 -39.74 53.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.001 -0.545 . . . . 0.76 111.529 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 41.6 p -109.48 -40.05 5.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.806 0.669 . . . . 1.32 112.806 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 69.0 m -133.35 95.65 18.01 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.202 -0.454 . . . . 1.17 110.975 -167.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -78.1 -18.09 13.06 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.564 2.176 . . . . 0.67 113.166 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.73 -14.28 35.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.813 -0.355 . . . . 2.24 110.872 -177.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -80.47 -10.74 59.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.033 0.444 . . . . 1.89 110.499 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.675 HD12 HD12 ' A' 1937 ' ' LEU . 96.1 mt -68.78 -37.72 79.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.995 -0.548 . . . . 0.34 111.08 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -60.87 -54.38 37.37 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-O 119.687 -0.507 . . . . 0.38 112.95 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.97 -41.73 62.2 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.82 2.347 . . . . 0.58 112.645 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 75.8 mt -69.84 -44.0 70.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.541 -0.299 . . . . 0.37 110.684 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -58.2 -32.42 68.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.087 0.47 . . . . 0.36 109.848 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -68.43 -47.08 68.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.685 . . . . 1.43 110.503 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -68.02 -44.66 76.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 1.07 110.737 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.49 ' HB2' HG21 ' A' 1867 ' ' THR . 48.0 tp -53.52 -40.15 65.2 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.374 0.607 . . . . 0.25 109.818 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 7.3 m -61.79 -54.23 45.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.89 -1.05 . . . . 0.28 111.71 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 19.6 m -70.9 -38.66 73.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.139 -0.482 . . . . 1.17 111.998 -173.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.466 ' HB3' HG22 ' A' 1864 ' ' ILE . 2.7 m-20 -69.39 -29.77 67.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.86 -0.336 . . . . 0.8 110.693 177.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1893 ' ' TYR . . . . . 0.422 ' CE2' HG23 ' A' 1831 ' ' ILE . 28.3 t80 -64.66 -46.07 84.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.899 -0.32 . . . . 0.31 110.141 173.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.96 -34.12 61.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.999 -0.619 . . . . 0.31 111.953 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 81.9 mtt180 -66.32 -48.78 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.188 -0.301 . . . . 3.04 110.188 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.459 HD21 ' HB ' ' A' 1860 ' ' THR . 12.6 mt -56.93 -48.94 77.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.279 -0.419 . . . . 0.86 111.325 176.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1897 ' ' ALA . . . . . 0.571 ' HA ' HG11 ' A' 1920 ' ' VAL . . . -62.41 -32.79 73.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.159 -0.473 . . . . 0.49 111.521 -177.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 35.1 t -72.64 -43.52 63.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.184 -0.462 . . . . 1.38 110.212 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.45 ' O ' ' HD2' ' A' 1902 ' ' PRO . 51.3 mt-30 -71.72 -26.04 62.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 1.56 111.686 -178.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.7 -27.32 65.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.379 -0.373 . . . . 0.34 111.867 -177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.786 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 56.8 mtpt -63.03 -57.32 21.74 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.462 -0.335 . . . . 2.27 111.327 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.786 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 16.1 Cg_exo -68.93 -29.7 27.53 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.954 1.769 . . . . 0.6 111.988 176.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.59 94.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 0.39 110.838 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.4 96.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.73 -0.668 . . . . 0.46 111.488 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' 1902 ' ' PRO . 7.4 p -75.91 -24.54 16.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-O 120.725 0.298 . . . . 1.26 111.369 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -73.67 -13.44 60.99 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.901 0.382 . . . . 0.64 111.073 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -75.65 171.28 14.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.951 -0.568 . . . . 0.85 110.215 177.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -92.94 -2.82 55.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.361 0.6 . . . . 2.67 110.439 -177.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.752 ' OD1' ' HB ' ' A' 1912 ' ' ILE . 4.7 p30 -147.31 162.56 38.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.44 -0.8 . . . . 2.18 111.093 -173.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -84.45 -34.95 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.141 -0.481 . . . . 2.24 110.419 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -49.22 78.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.779 0.323 . . . . 2.49 111.285 -177.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.752 ' HB ' ' OD1' ' A' 1909 ' ' ASN . 22.5 mm -62.55 -42.85 97.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.015 -0.539 . . . . 0.89 110.475 178.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -64.18 -44.32 95.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.637 -0.792 . . . . 0.51 111.965 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1914 ' ' ALA . . . . . 0.688 ' HA ' ' HE3' ' A' 1917 ' ' LYS . . . -61.02 -40.25 92.83 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 120.907 0.384 . . . . 0.46 110.435 177.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.417 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.6 t-160 -61.27 -34.98 76.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.606 -0.725 . . . . 1.62 110.266 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' 1920 ' ' VAL . 91.2 mt -68.99 -54.67 18.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.021 0.439 . . . . 0.4 110.451 175.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.688 ' HE3' ' HA ' ' A' 1914 ' ' ALA . 51.5 mtmt -56.29 -46.87 79.57 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.483 -0.78 . . . . 1.36 111.019 -177.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -63.9 -31.79 73.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 1.91 111.858 -177.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.531 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 22.0 mmt180 -78.23 -24.22 47.08 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.832 -0.347 . . . . 2.55 111.225 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.571 HG11 ' HA ' ' A' 1897 ' ' ALA . 56.0 t -73.74 -30.65 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.365 0.602 . . . . 0.35 109.461 173.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' 1917 ' ' LYS . 10.9 mm100 -62.68 -25.25 68.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.835 -0.621 . . . . 1.22 109.831 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.705 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 6.5 mm-40 -61.85 -47.46 84.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.51 -0.768 . . . . 1.49 110.815 177.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.668 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 0.9 OUTLIER -70.8 -27.57 63.99 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 108.635 -0.876 . . . . 0.67 108.635 175.071 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1924 ' ' GLY . . . . . 0.44 ' O ' HD11 ' A' 1835 ' ' ILE . . . -56.28 -36.56 69.52 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.777 -0.725 . . . . 0.64 111.948 177.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -93.44 -46.9 7.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.746 0.308 . . . . 0.69 110.437 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -65.5 -52.89 35.52 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.226 -0.511 . . . . 0.25 113.145 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.668 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 93.1 m -65.82 -33.9 76.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.697 0.248 . . . . 1.22 110.812 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 32.1 t -58.32 -50.86 72.14 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.423 -0.584 . . . . 1.03 109.423 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.44 98.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.419 -0.81 . . . . 0.28 110.644 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.721 HD12 HG21 ' A' 1957 ' ' VAL . 0.5 OUTLIER -58.71 -50.13 75.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.023 -0.535 . . . . 0.28 111.261 -177.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 18.8 m -69.3 -26.26 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.302 . . . . 0.26 110.799 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.5 m -70.67 -46.11 63.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 0.8 110.377 176.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -61.66 -37.24 83.33 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.23 -0.441 . . . . 1.27 110.746 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.12 84.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.693 -0.231 . . . . 0.3 111.03 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -58.91 -40.75 95.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.619 -0.8 . . . . 0.4 111.995 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.69 71.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.884 0.373 . . . . 0.5 111.084 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.675 HD12 HD12 ' A' 1882 ' ' LEU . 3.3 tm? -70.04 -38.56 75.89 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.599 -0.519 . . . . 0.41 109.599 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -71.81 -25.05 61.84 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.218 0.533 . . . . 1.06 110.989 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 48.7 t -71.92 -24.53 61.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.728 -0.669 . . . . 1.43 110.147 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1940 ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' 1942 ' ' SER . 61.3 m -152.15 72.84 7.76 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.974 -0.38 . . . . 0.8 109.974 177.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.16 11.7 0.16 Allowed 'Trans proline' 0 N--CA 1.48 0.711 0 C-N-CA 123.385 2.723 . . . . 0.69 113.568 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1942 ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' 1940 ' ' SER . 50.5 m -114.81 4.5 14.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.228 -0.442 . . . . 1.54 111.117 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1943 ' ' ASP . . . . . 0.413 ' OD1' ' HB ' ' A' 1946 ' ' THR . 0.7 OUTLIER -85.06 168.2 15.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.741 -0.466 . . . . 1.16 109.741 178.216 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 96.3 t -117.09 -42.35 2.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.334 -0.394 . . . . 1.33 110.605 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.46 ' O ' ' HG3' ' A' 1949 ' ' GLU . 33.6 t80 -63.83 -51.47 64.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.013 -0.539 . . . . 1.91 111.705 -174.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.413 ' HB ' ' OD1' ' A' 1943 ' ' ASP . 98.2 m -66.09 -39.75 90.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.139 -0.482 . . . . 0.6 110.409 -176.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -61.6 -43.99 97.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.733 -0.667 . . . . 1.2 110.159 175.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' 1952 ' ' GLU . 54.3 tttm -60.7 -41.54 95.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 2.67 110.569 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' 1945 ' ' TYR . 32.5 mt-10 -58.75 -38.01 77.48 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.531 -0.304 . . . . 1.53 110.841 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.494 ' HG ' HD23 ' A' 1930 ' ' LEU . 8.9 tt -67.59 -42.04 83.11 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.034 -0.358 . . . . 0.31 110.034 178.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.62 ' O ' ' HG3' ' A' 1955 ' ' ARG . 97.6 mt -56.48 -49.52 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.35 109.987 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' 1948 ' ' LYS . 61.0 mm-40 -63.42 -42.18 98.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 2.11 110.539 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.493 ' O ' HG23 ' A' 1957 ' ' VAL . 34.2 t -62.37 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 0.88 110.613 -178.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.33 87.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 0.25 110.658 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' 1951 ' ' ILE . 78.5 mtp180 -58.93 -44.49 91.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 3.21 110.522 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' 1960 ' ' LYS . 23.9 mtm180 -69.39 -39.31 78.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 3.16 110.975 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.721 HG21 HD12 ' A' 1930 ' ' LEU . 97.4 t -64.01 -42.68 96.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.479 -0.328 . . . . 0.3 110.84 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 57.4 m -57.42 -36.75 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 1.13 110.87 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 1955 ' ' ARG . 43.3 mt-10 -67.95 -31.38 71.08 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.134 0.493 . . . . 1.86 110.837 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.705 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.3 mmtt -70.82 -37.17 73.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 0.65 110.086 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.827 HG11 ' HB2' ' A' 1865 ' ' ALA . 20.4 t -59.77 -46.71 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.263 -0.426 . . . . 0.27 110.36 177.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 18.2 m -56.39 -35.42 67.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.732 -0.667 . . . . 1.3 110.743 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.531 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 29.3 m80 -72.97 -41.83 63.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 1.11 111.518 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' 1960 ' ' LYS . 91.1 t -62.08 -48.88 86.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.854 0.359 . . . . 0.35 110.43 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.19 -42.99 87.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.911 -0.586 . . . . 0.35 110.723 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.36 -37.74 83.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.4 111.187 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.73 96.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.431 . . . . 0.46 111.028 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.667 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.8 mm? -65.31 -48.43 73.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.5 110.682 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -24.98 66.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.926 -0.579 . . . . 1.7 111.259 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.93 110.804 178.874 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 121.158 0.504 . . . . 0.74 109.973 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.98 -34.7 76.65 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.566 -0.743 . . . . 0.87 110.51 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.6 m -65.34 -36.73 84.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.746 -0.661 . . . . 0.97 110.88 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.406 ' O ' HG13 ' A' 1835 ' ' ILE . 52.6 mt -67.44 -37.27 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.32 110.33 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 12.4 m -65.03 -36.11 83.32 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.074 0.464 . . . . 0.61 110.515 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.64 -40.03 95.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 2.49 110.171 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.416 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -59.7 -42.46 93.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.615 -0.72 . . . . 0.34 111.095 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1835 ' ' ILE . . . . . 0.446 HD11 ' O ' ' A' 1924 ' ' GLY . 44.6 mt -61.36 -40.56 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.29 0.567 . . . . 0.49 110.479 178.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -69.37 -48.71 60.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.025 -0.534 . . . . 0.72 111.644 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1837 ' ' GLN . . . . . 0.416 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 15.7 pt20 -62.5 -34.22 76.44 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.938 0.347 . . . . 1.0 111.938 -175.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.757 0.313 . . . . 0.79 111.103 -178.066 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.572 ' HE1' HD11 ' A' 1916 ' ' ILE . 73.0 t80 . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.762 0.315 . . . . 0.68 110.47 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 5.7 p -55.56 -38.21 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.796 -0.638 . . . . 0.79 111.475 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.48 -55.93 15.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.329 . . . . 1.71 110.782 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -63.71 -34.44 77.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 1.07 110.972 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.622 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 51.4 tt0 -59.63 -57.23 13.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.213 -0.449 . . . . 0.99 110.72 176.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 56.9 m -58.53 -39.84 81.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.915 -0.584 . . . . 1.46 111.14 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 23.8 m -65.84 -46.69 77.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.834 0.35 . . . . 0.42 110.895 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 67.8 mtp -66.53 -43.46 85.1 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.183 0.438 . . . . 0.71 112.183 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.678 ' O ' ' HG3' ' A' 1862 ' ' LYS . 24.4 m -64.12 -33.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 119.964 -0.695 . . . . 0.29 110.473 -178.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -62.01 -51.42 68.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 3.02 110.451 175.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.525 ' O ' HG23 ' A' 1864 ' ' ILE . 21.5 m -64.7 -35.77 82.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 0.35 111.099 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.536 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.66 -47.51 80.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 0.25 110.829 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.0 mttt -65.28 -29.23 69.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.943 0.402 . . . . 1.31 110.282 176.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1863 ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' 1866 ' ' VAL . . . -67.59 -44.36 78.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.41 110.993 176.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.58 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -74.65 -23.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.514 -0.474 . . . . 0.28 110.035 178.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.756 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.59 -38.72 80.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.168 -0.469 . . . . 0.2 111.361 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.411 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.7 p -75.01 -25.11 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.45 -0.5 . . . . 0.73 110.01 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.557 ' O ' ' HG3' ' A' 1871 ' ' MET . 91.8 m -64.78 -56.52 13.06 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.058 -0.519 . . . . 0.25 110.792 173.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.677 HG23 HD11 ' A' 1930 ' ' LEU . 2.4 p -60.59 -39.51 81.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.455 -0.339 . . . . 0.28 111.378 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.411 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -67.76 -25.41 65.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.49 . . . . 0.91 110.012 178.737 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -75.62 -38.3 59.09 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.461 -0.57 . . . . 0.57 109.461 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.557 ' HG3' ' O ' ' A' 1867 ' ' THR . 85.4 mtp -62.24 -45.43 93.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.866 -0.606 . . . . 1.25 111.364 -175.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' 1954 ' ' ALA . 7.1 p -60.17 -43.85 94.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.168 0.509 . . . . 0.59 110.855 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 21.0 m -69.57 -43.01 73.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.511 -0.768 . . . . 0.44 111.232 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.564 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 5.3 mmpt? -68.95 -32.41 71.98 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.61 -0.268 . . . . 1.4 111.427 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 26.0 t -60.49 -24.36 65.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.882 0.372 . . . . 1.11 110.483 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -81.52 -36.09 29.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.895 -0.593 . . . . 0.76 111.826 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 25.8 p -107.62 -36.99 6.29 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.833 0.679 . . . . 1.32 112.833 -172.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 72.0 m -142.01 88.47 9.27 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.993 -0.549 . . . . 1.17 110.116 -171.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.18 -29.29 55.79 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.507 2.138 . . . . 0.67 113.214 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.8 -18.62 53.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.963 0.411 . . . . 2.24 110.499 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.39 -11.19 60.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.093 -0.503 . . . . 1.89 110.511 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.669 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 96.4 mt -69.3 -28.4 66.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.766 -0.652 . . . . 0.34 110.861 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1883 ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.62 -55.89 24.56 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.774 -0.727 . . . . 0.38 113.103 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' 1883 ' ' GLY . 12.9 Cg_endo -59.14 -37.46 92.06 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.444 2.096 . . . . 0.58 112.571 175.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.556 HD11 ' HG3' ' A' 1874 ' ' LYS . 80.1 mt -71.35 -42.36 68.6 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.155 -0.218 . . . . 0.37 111.089 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1886 ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.66 -33.44 71.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.24 0.543 . . . . 0.36 109.723 174.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.16 -43.71 73.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.593 -0.73 . . . . 1.43 110.338 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -67.8 -42.55 81.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 1.07 110.984 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 36.4 tp -60.08 -32.31 70.83 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.872 -0.418 . . . . 0.25 109.872 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 53.7 m -72.9 -49.82 27.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.964 -0.562 . . . . 0.28 111.434 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 54.6 p -67.62 -50.06 59.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.406 0.622 . . . . 1.17 111.293 -174.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.16 -31.32 69.89 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.119 -0.946 . . . . 0.8 111.482 -176.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1893 ' ' TYR . . . . . 0.531 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 43.6 t80 -64.91 -40.27 94.82 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.604 -0.438 . . . . 0.31 110.082 174.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.98 -31.1 58.3 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.809 -0.632 . . . . 0.31 112.109 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -68.04 -45.47 73.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 3.04 110.17 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' 1861 ' ' ALA . 20.1 mt -61.36 -41.38 96.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.402 -0.363 . . . . 0.86 110.896 177.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.38 98.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.183 -0.462 . . . . 0.49 111.426 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 5.7 p -77.56 -36.55 52.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.527 -0.306 . . . . 1.38 111.419 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.545 ' O ' ' HD2' ' A' 1902 ' ' PRO . 20.9 mt-30 -74.74 -24.11 58.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.765 -0.198 . . . . 1.56 111.391 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.83 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.76 0.314 . . . . 0.34 111.476 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.824 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 7.9 mmmm -58.74 -53.32 67.5 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 116.302 -0.408 . . . . 2.27 111.507 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.824 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 11.0 Cg_exo -73.11 -28.84 12.37 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.26 1.973 . . . . 0.6 112.305 174.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.05 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.39 110.768 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1904 ' ' ALA . . . . . 0.479 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -59.4 -46.48 88.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.733 -0.667 . . . . 0.46 111.416 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' 1902 ' ' PRO . 12.4 p -75.57 -23.36 16.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 1.26 111.044 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.53 -20.62 56.71 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.77 0.319 . . . . 0.64 111.134 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -72.33 139.77 48.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.237 -0.438 . . . . 0.85 110.259 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.11 -28.61 18.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.048 0.451 . . . . 2.67 110.094 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.474 ' HB3' HG12 ' A' 1912 ' ' ILE . 51.7 t-20 -87.69 122.24 31.12 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.322 -0.992 . . . . 2.18 108.322 172.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.28 -36.19 77.26 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.401 -0.363 . . . . 2.24 111.457 -173.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.67 -35.19 80.06 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.432 -0.349 . . . . 2.49 111.047 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.551 ' O ' HG13 ' A' 1916 ' ' ILE . 41.6 mm -60.67 -51.02 77.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.741 -0.466 . . . . 0.89 109.741 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -60.41 -42.09 98.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.978 -0.629 . . . . 0.51 112.585 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.4 89.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 0.46 110.609 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.522 ' O ' ' HG2' ' A' 1919 ' ' ARG . 24.0 m-70 -66.42 -40.16 89.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.69 -0.686 . . . . 1.62 111.335 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.572 HD11 ' HE1' ' A' 1850 ' ' PHE . 74.0 mt -53.09 -54.65 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.785 0.326 . . . . 0.4 110.98 178.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.56 ' O ' ' HG3' ' A' 1921 ' ' GLN . 50.4 mtmt -59.08 -47.59 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 1.36 110.566 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -64.53 -34.74 78.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.529 -0.76 . . . . 1.91 112.023 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.606 ' HB3' HG22 ' A' 1964 ' ' VAL . 29.9 mmt180 -66.21 -40.07 90.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 2.55 110.567 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' 1916 ' ' ILE . 60.7 t -65.23 -27.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.469 0.652 . . . . 0.35 110.098 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' 1917 ' ' LYS . 18.0 mt-30 -71.39 -24.73 62.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.836 -0.62 . . . . 1.22 111.365 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.73 -42.39 83.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.935 -0.765 . . . . 1.49 108.935 171.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.728 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.6 mt -74.13 -26.79 60.53 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.634 -0.712 . . . . 0.67 109.886 174.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1924 ' ' GLY . . . . . 0.446 ' O ' HD11 ' A' 1835 ' ' ILE . . . -57.91 -33.24 67.98 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.015 -1.088 . . . . 0.64 111.456 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -91.37 -46.59 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.669 0.271 . . . . 0.69 110.635 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.55 -50.04 46.19 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.085 -0.579 . . . . 0.25 113.215 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.728 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 88.2 m -65.41 -37.25 86.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.703 0.287 . . . . 1.22 110.436 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 30.9 t -61.0 -46.5 90.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.201 0.524 . . . . 1.03 110.175 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.22 90.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.644 -0.707 . . . . 0.28 110.725 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.677 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.84 -52.87 62.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 0.28 110.871 -178.833 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1931 ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' 1886 ' ' ALA . 32.9 m -63.84 -37.63 80.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.83 0.348 . . . . 0.26 110.721 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.3 m -65.33 -42.01 93.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.071 0.462 . . . . 0.8 110.658 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.55 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.4 tptt -67.22 -40.69 86.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.914 -0.585 . . . . 1.27 110.642 -178.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1934 ' ' ALA . . . . . 0.669 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -59.1 -35.76 73.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.3 111.054 176.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -62.35 -41.88 99.73 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.555 -0.831 . . . . 0.4 111.522 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.02 -31.47 64.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.746 0.308 . . . . 0.5 111.047 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' 1937 ' ' LEU . 2.7 tm? -70.42 -31.17 68.25 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.505 -0.554 . . . . 0.41 109.505 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -76.13 -25.83 55.73 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.026 0.441 . . . . 1.06 110.858 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 49.6 t -76.28 -17.85 59.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.824 -0.625 . . . . 1.43 110.011 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 26.1 m -153.16 70.02 6.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.8 109.965 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.76 -13.19 38.64 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.813 2.342 . . . . 0.69 113.047 -173.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.3 m -95.18 -0.69 52.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.962 -0.563 . . . . 1.54 111.047 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -87.58 107.94 18.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.218 0.532 . . . . 1.16 110.211 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 61.0 t -68.97 -31.85 52.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.647 -0.706 . . . . 1.33 111.095 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 61.5 t80 -64.46 -48.51 75.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.509 -0.314 . . . . 1.91 110.537 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.539 HG23 ' HE3' ' A' 1933 ' ' LYS . 41.8 m -59.25 -42.92 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.6 110.597 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.471 ' O ' HG13 ' A' 1951 ' ' ILE . 29.0 ttpp -63.37 -42.42 98.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 1.2 110.111 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.4 -42.84 88.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 2.67 110.699 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.55 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 42.4 mt-10 -65.18 -41.47 94.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.952 -0.567 . . . . 1.53 110.778 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.59 -39.71 84.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.61 -0.268 . . . . 0.31 110.615 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' 1947 ' ' LYS . 96.7 mt -55.37 -45.21 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.983 0.42 . . . . 0.35 109.892 174.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' A' 1956 ' ' ARG . 23.7 mm-40 -59.18 -52.67 64.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.916 -0.583 . . . . 2.11 111.04 174.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.546 ' O ' HG23 ' A' 1957 ' ' VAL . 71.7 m -52.91 -47.21 68.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.309 -0.405 . . . . 0.88 110.876 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.464 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -58.82 -43.89 90.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.383 -0.371 . . . . 0.25 111.65 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' 1955 ' ' ARG . 48.3 mtp180 -60.43 -46.56 89.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.368 0.604 . . . . 3.21 110.227 177.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' 1952 ' ' GLU . 92.7 mtt180 -68.01 -39.23 83.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.133 -0.94 . . . . 3.16 111.31 -174.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.609 ' HB ' HG21 ' A' 1868 ' ' VAL . 95.9 t -63.21 -44.42 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.728 0.299 . . . . 0.3 110.347 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 32.6 t -57.51 -38.45 74.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.116 -0.493 . . . . 1.13 110.372 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.25 -35.41 77.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.928 -0.578 . . . . 1.86 110.968 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.587 ' O ' HG23 ' A' 1964 ' ' VAL . 28.2 mmtp -69.46 -35.94 76.1 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.002 -0.279 . . . . 0.65 110.515 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.756 HG11 ' HB2' ' A' 1865 ' ' ALA . 51.1 t -57.3 -44.23 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.967 0.413 . . . . 0.27 110.126 175.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 30.3 t -59.21 -36.19 74.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.7 -0.682 . . . . 1.3 110.355 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 43.3 m170 -70.92 -38.48 72.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 1.11 110.279 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.606 HG22 ' HB3' ' A' 1919 ' ' ARG . 56.9 t -62.0 -52.11 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.35 110.499 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 63.9 mt -55.28 -43.89 75.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.657 -0.701 . . . . 0.35 110.714 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.48 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.4 111.566 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1967 ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -65.94 -40.32 91.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.37 . . . . 0.46 110.743 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.622 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -68.53 -49.43 59.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.5 110.369 177.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -60.79 -24.83 66.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.309 -0.405 . . . . 1.7 111.537 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.897 0.38 . . . . 0.93 110.805 178.22 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 121.275 0.559 . . . . 0.74 110.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.02 -36.69 73.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.525 -0.761 . . . . 0.87 110.945 176.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 15.8 m -64.61 -34.7 78.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.97 110.672 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 54.7 mt -68.12 -46.08 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.55 . . . . 0.32 109.613 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 20.9 m -62.47 -48.03 81.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.425 -0.807 . . . . 0.61 111.133 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -59.72 -38.16 80.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 2.49 110.861 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -61.42 -38.12 85.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.34 111.33 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.94 -44.44 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.06 0.457 . . . . 0.49 110.718 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -63.15 -49.41 74.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.769 -0.65 . . . . 0.72 111.684 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -67.2 -33.07 74.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.544 0.572 . . . . 1.0 112.544 -175.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1838 ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' 1920 ' ' VAL . 66.4 mt . . . . . 0 C--N 1.329 -0.304 0 N-CA-C 112.065 0.394 . . . . 0.79 112.065 -175.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 68.3 t80 . . . . . 0 C--O 1.228 -0.034 0 CA-C-O 120.731 0.301 . . . . 0.68 111.069 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.3 p -53.87 -41.74 50.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.79 111.517 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.67 -43.73 83.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.422 . . . . 1.71 110.167 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.418 ' CZ ' ' HB2' ' A' 1902 ' ' PRO . 84.0 m-85 -66.73 -44.23 82.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.255 -0.43 . . . . 1.07 110.845 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.33 -53.91 53.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.014 -0.539 . . . . 0.99 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 5.9 t -62.96 -27.61 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 1.46 111.054 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 34.7 m -78.51 -51.51 9.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.843 0.354 . . . . 0.42 110.911 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.1 mtp -62.38 -36.15 81.37 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.331 0.493 . . . . 0.71 112.331 -174.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.678 ' O ' ' HG3' ' A' 1862 ' ' LYS . 28.5 m -63.89 -30.51 50.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 C-N-CA 120.355 -0.538 . . . . 0.29 110.308 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -77.05 -43.63 33.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 3.02 110.167 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.459 ' HB ' ' CD2' ' A' 1896 ' ' LEU . 4.2 m -63.7 -35.01 79.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.023 -0.535 . . . . 0.35 110.925 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.545 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.74 -43.6 92.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.25 110.529 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' 1858 ' ' VAL . 60.6 mttm -62.62 -34.17 76.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.052 0.454 . . . . 1.31 110.148 175.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.06 89.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 0.41 111.331 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.827 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -72.39 -28.59 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.248 -0.581 . . . . 0.28 109.95 178.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.633 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -66.36 -41.0 90.14 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 116.1 -0.5 . . . . 0.2 111.308 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.428 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.8 p -73.21 -24.98 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.46 -0.496 . . . . 0.73 110.305 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.59 ' O ' ' HG3' ' A' 1871 ' ' MET . 89.6 m -69.19 -53.98 17.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.385 -0.371 . . . . 0.25 110.676 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.638 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.4 p -61.48 -40.88 87.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.595 0.236 . . . . 0.28 111.21 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.428 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.2 -26.51 67.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.91 109.951 179.365 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' 1869 ' ' GLN . 8.7 tp10 -77.96 -38.2 45.72 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.754 -0.462 . . . . 0.57 109.754 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.59 ' HG3' ' O ' ' A' 1867 ' ' THR . 85.4 mtp -61.35 -46.84 88.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.568 -0.287 . . . . 1.25 110.918 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 7.5 p -61.27 -37.25 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.446 0.641 . . . . 0.59 110.769 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 78.7 m -75.25 -45.64 38.82 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.358 -0.837 . . . . 0.44 110.977 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.786 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -65.66 -31.32 72.28 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 116.229 -0.441 . . . . 1.4 111.377 179.538 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 22.6 t -60.51 -24.67 65.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.077 0.465 . . . . 1.11 110.719 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -81.11 -38.53 27.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 0.76 111.387 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 37.6 p -99.66 -41.7 7.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.453 0.538 . . . . 1.32 112.453 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.2 t -148.55 94.13 4.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.841 0.353 . . . . 1.17 110.636 -173.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.456 ' HB3' ' CD1' ' A' 1937 ' ' LEU . 23.7 Cg_exo -64.92 -13.11 37.74 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.65 2.233 . . . . 0.67 111.606 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -72.33 -25.47 61.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.775 -0.648 . . . . 2.24 110.447 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' 1885 ' ' LEU . 42.8 mm-40 -78.53 -15.3 58.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.805 -0.634 . . . . 1.89 110.991 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.437 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 94.2 mt -63.72 -30.67 71.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 0.34 111.666 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -67.14 -56.35 12.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.509 -0.853 . . . . 0.38 113.028 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' 1881 ' ' GLU . 38.6 Cg_exo -62.24 -28.05 78.86 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.303 2.002 . . . . 0.58 112.584 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.576 HD11 ' HG3' ' A' 1874 ' ' LYS . 90.4 mt -74.59 -42.38 58.8 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.884 -0.326 . . . . 0.37 110.313 176.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.91 85.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.122 -0.696 . . . . 0.36 109.122 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 9.7 m120 -57.13 -47.69 80.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.174 -0.921 . . . . 1.43 110.365 174.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1888 ' ' GLN . . . . . 0.486 ' HG2' ' OD2' ' A' 1892 ' ' ASP . 49.3 tt0 -72.57 -43.32 63.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.608 -0.724 . . . . 1.07 111.304 -175.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 51.5 tp -57.82 -38.71 76.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.113 0.482 . . . . 0.25 109.773 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 67.2 m -64.58 -46.91 80.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.615 -0.721 . . . . 0.28 111.114 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 48.3 p -71.81 -44.47 63.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.934 0.397 . . . . 1.17 111.292 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.65 ' HB3' HG22 ' A' 1864 ' ' ILE . 69.4 m-20 -59.05 -43.88 91.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.8 110.634 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.77 -41.39 90.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.31 110.784 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.55 -35.93 75.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.971 -0.633 . . . . 0.31 112.333 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -68.75 -37.8 79.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.005 0.431 . . . . 3.04 110.586 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.459 ' CD2' ' HB ' ' A' 1860 ' ' THR . 26.5 mt -66.1 -48.81 69.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.368 . . . . 0.86 110.523 174.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1897 ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -67.15 -25.94 66.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.777 -0.647 . . . . 0.49 112.426 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 11.7 p -82.06 -40.76 21.54 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.86 -0.336 . . . . 1.38 110.94 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.476 ' O ' ' HD2' ' A' 1902 ' ' PRO . 20.2 mt-30 -76.89 -24.94 52.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.36 -0.382 . . . . 1.56 111.774 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -66.36 -28.55 68.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.334 . . . . 0.34 111.811 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.824 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 58.4 mtpt -63.02 -59.04 13.51 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 116.267 -0.424 . . . . 2.27 111.192 -178.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.824 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 12.5 Cg_exo -69.5 -28.51 26.4 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.126 1.884 . . . . 0.6 112.222 178.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.25 83.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.223 0.535 . . . . 0.39 110.457 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1904 ' ' ALA . . . . . 0.459 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -60.7 -47.24 87.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.375 -0.83 . . . . 0.46 111.779 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 12.3 p -75.34 -26.37 18.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 1.26 111.419 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -80.03 -16.67 54.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.121 0.486 . . . . 0.64 110.804 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.83 145.97 51.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.85 111.222 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.51 -62.91 1.53 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.905 -0.589 . . . . 2.67 111.09 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.832 ' HB2' HG12 ' A' 1912 ' ' ILE . 1.6 m-20 -81.28 139.68 35.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.216 -0.447 . . . . 2.18 109.911 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.45 -36.9 85.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.479 -0.934 . . . . 2.24 108.479 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1911 ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.8 mp0 -59.77 -38.39 81.7 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.266 -0.879 . . . . 2.49 110.68 177.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.832 HG12 ' HB2' ' A' 1909 ' ' ASN . 40.5 mm -66.49 -42.92 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.459 -0.337 . . . . 0.89 110.183 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -63.72 -44.58 96.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.618 -0.801 . . . . 0.51 111.612 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.16 79.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.25 0.548 . . . . 0.46 110.666 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.505 ' O ' ' HG2' ' A' 1919 ' ' ARG . 1.4 t-160 -65.01 -49.24 70.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.445 -0.798 . . . . 1.62 110.383 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' 1912 ' ' ILE . 84.9 mt -58.36 -54.13 36.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.4 111.16 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.6 ptpt -61.13 -37.26 82.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 1.36 111.346 -176.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.56 -26.14 57.69 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.979 0.363 . . . . 1.91 111.979 -177.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' 1915 ' ' HIS . 18.9 mmt180 -75.24 -33.62 61.34 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.921 -0.312 . . . . 2.55 110.881 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.568 ' HB ' HD13 ' A' 1838 ' ' LEU . 17.7 t -70.58 -22.58 23.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.911 -0.403 . . . . 0.35 109.911 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' 1917 ' ' LYS . 11.4 mm100 -60.31 -39.73 88.04 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.34 0.59 . . . . 1.22 109.468 172.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' 1919 ' ' ARG . 14.5 mm-40 -58.62 -46.95 85.95 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.109 -0.95 . . . . 1.49 109.939 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 1923 ' ' LEU . 18.5 mt -63.31 -38.11 89.9 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.509 -0.769 . . . . 0.67 110.576 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.78 -53.42 36.41 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.778 -0.725 . . . . 0.64 111.781 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 76.0 m80 -65.62 -43.8 88.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.737 0.303 . . . . 0.69 110.746 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.0 -52.71 35.13 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.903 -0.665 . . . . 0.25 112.864 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.416 ' O ' HG22 ' A' 1931 ' ' VAL . 78.8 m -61.51 -43.46 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.246 0.218 . . . . 1.22 111.138 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 29.2 m -55.98 -47.36 77.84 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.072 0.463 . . . . 1.03 110.419 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.05 82.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 0.28 111.282 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.615 HD12 HG21 ' A' 1957 ' ' VAL . 0.6 OUTLIER -67.88 -53.5 26.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.269 -0.423 . . . . 0.28 110.099 -179.44 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1931 ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' 1927 ' ' CYS . 27.3 m -64.27 -35.84 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 0.26 111.146 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.6 m -57.65 -45.36 85.61 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.8 0.333 . . . . 0.8 110.751 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.554 ' HE2' ' HB3' ' A' 1949 ' ' GLU . 13.9 mptt -65.71 -40.97 92.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.27 111.18 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1934 ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -62.73 -35.06 78.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.499 -0.319 . . . . 0.3 111.52 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -60.47 -43.37 98.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.488 -0.863 . . . . 0.4 111.575 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -76.65 -29.51 56.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.809 0.338 . . . . 0.5 111.096 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' 1937 ' ' LEU . 1.5 tm? -71.74 -28.63 63.79 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.787 -0.449 . . . . 0.41 109.787 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -77.46 -26.68 51.66 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.222 -0.591 . . . . 1.06 110.784 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.8 t -74.27 -27.68 60.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.316 -0.624 . . . . 1.43 109.316 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 19.6 m -142.3 71.47 22.06 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.785 -0.643 . . . . 0.8 109.868 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.52 ' HA ' HD13 ' A' 1937 ' ' LEU . 38.2 Cg_endo -68.11 -8.82 23.87 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.663 2.242 . . . . 0.69 111.624 -176.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 6.7 p -89.59 -15.72 32.18 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.649 -1.16 . . . . 1.54 111.259 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.4 117.94 20.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 1.16 111.013 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 49.5 t -75.28 -34.87 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.78 -0.645 . . . . 1.33 110.648 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 53.9 t80 -61.74 -48.88 78.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.838 -0.619 . . . . 1.91 110.862 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 21.6 m -65.27 -37.66 87.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.195 -0.457 . . . . 0.6 110.789 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.413 ' O ' HG13 ' A' 1951 ' ' ILE . 36.9 ttpt -65.6 -41.59 92.63 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.065 -0.346 . . . . 1.2 110.065 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' 1952 ' ' GLU . 26.1 ttpp -55.23 -47.57 75.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 2.67 109.964 174.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.554 ' HB3' ' HE2' ' A' 1933 ' ' LYS . 24.0 mm-40 -61.18 -40.91 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.362 -0.835 . . . . 1.53 111.433 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.98 -41.62 95.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.63 -0.259 . . . . 0.31 110.72 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.516 ' O ' ' HG2' ' A' 1955 ' ' ARG . 83.7 mt -60.06 -42.34 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.35 110.18 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' 1948 ' ' LYS . 19.2 mm-40 -65.48 -41.92 92.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 2.11 110.404 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' 1957 ' ' VAL . 85.3 m -56.21 -43.66 78.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.88 110.395 175.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.36 91.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.935 -0.575 . . . . 0.25 111.212 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' 1951 ' ' ILE . 22.5 mmm180 -58.63 -50.65 73.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.014 0.435 . . . . 3.21 110.409 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.55 ' O ' ' HG2' ' A' 1960 ' ' LYS . 45.2 mtt180 -58.21 -39.45 79.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 3.16 111.041 -177.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.638 ' HB ' HG21 ' A' 1868 ' ' VAL . 61.5 t -63.19 -54.5 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.3 110.7 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 21.0 t -60.28 -34.94 74.47 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.954 0.407 . . . . 1.13 110.502 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -60.45 -40.14 90.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.454 0.645 . . . . 1.86 111.268 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' 1956 ' ' ARG . 28.0 mmtp -81.38 -27.21 34.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.073 -0.512 . . . . 0.65 111.439 -176.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.827 HG22 HD11 ' A' 1864 ' ' ILE . 42.8 t -53.7 -48.23 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.923 0.392 . . . . 0.27 110.379 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 2.8 m -58.26 -37.34 74.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.647 -0.706 . . . . 1.3 110.669 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 70.8 m80 -69.87 -42.13 73.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.005 -0.543 . . . . 1.11 110.81 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' 1960 ' ' LYS . 61.8 t -63.56 -46.76 94.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.418 -0.356 . . . . 0.35 110.453 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.446 HD21 ' HB3' ' A' 1861 ' ' ALA . 63.7 mt -57.53 -48.7 78.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 0.35 111.012 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.31 -24.81 65.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.099 -0.501 . . . . 0.4 111.801 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -66.88 -26.71 67.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.516 -0.311 . . . . 0.46 111.05 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' 1968 ' ' LEU . 3.6 mm? -78.11 -48.08 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.574 -0.285 . . . . 0.5 111.198 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -69.65 -15.88 63.27 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.687 0.279 . . . . 1.7 111.157 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 121.144 0.497 . . . . 0.93 110.481 177.2 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.233 0.229 0 CA-C-O 121.147 0.498 . . . . 0.74 109.729 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.11 -40.44 89.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.455 -0.793 . . . . 0.87 110.698 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 35.8 m -57.33 -32.98 67.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.392 -0.822 . . . . 0.97 111.422 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.439 HG23 ' CE2' ' A' 1893 ' ' TYR . 57.5 mt -72.73 -44.15 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.011 0.434 . . . . 0.32 110.386 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 6.3 m -64.29 -39.49 94.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.168 0.509 . . . . 0.61 110.321 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -59.94 -41.81 92.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.923 -0.581 . . . . 2.49 110.58 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -58.76 -34.8 71.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.796 -0.638 . . . . 0.34 111.133 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1835 ' ' ILE . . . . . 0.411 HD11 ' C ' ' A' 1924 ' ' GLY . 55.6 mt -62.94 -48.19 89.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.608 . . . . 0.49 110.551 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -71.95 -41.07 68.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.981 -0.554 . . . . 0.72 111.646 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1837 ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.8 pt20 -62.45 -30.68 71.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.772 0.286 . . . . 1.0 111.772 -174.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1838 ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 61.8 mt . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.812 0.339 . . . . 0.79 111.033 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 84.9 t80 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.701 0.286 . . . . 0.68 110.366 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.8 p -60.47 -36.18 67.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 115.943 -0.571 . . . . 0.79 111.243 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.33 -52.45 27.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 1.71 110.092 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -61.59 -39.42 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 1.07 110.951 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.692 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 53.0 tt0 -54.88 -52.54 62.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 0.99 110.802 177.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.512 ' O ' ' HG3' ' A' 1859 ' ' ARG . 26.9 m -61.19 -43.26 99.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 1.46 110.846 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 13.5 m -66.71 -39.53 88.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.773 0.32 . . . . 0.42 110.998 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.8 mmm -64.94 -51.07 63.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.586 -0.279 . . . . 0.71 111.392 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.713 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.2 m -61.3 -40.64 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.704 -0.399 . . . . 0.29 111.479 -176.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' 1855 ' ' THR . 22.6 mtm180 -63.33 -43.24 98.32 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.824 0.345 . . . . 3.02 110.615 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.751 ' HB ' HD21 ' A' 1896 ' ' LEU . 25.4 m -69.81 -33.49 72.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.836 -0.62 . . . . 0.35 110.598 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.572 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.58 -42.21 95.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.25 110.248 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.713 ' HG3' ' O ' ' A' 1858 ' ' VAL . 77.6 mttt -66.56 -32.52 73.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.042 0.449 . . . . 1.31 109.857 175.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.99 -37.33 85.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.714 -0.675 . . . . 0.41 111.288 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.681 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -79.57 -26.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.403 -0.519 . . . . 0.28 109.749 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.835 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.52 -35.55 77.62 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.892 -0.594 . . . . 0.2 111.464 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.443 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 11.8 p -74.11 -26.57 21.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.18 0.514 . . . . 0.73 110.171 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 59.4 m -74.26 -46.51 40.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.814 -0.63 . . . . 0.25 110.934 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.906 HG21 ' HB ' ' A' 1957 ' ' VAL . 4.3 p -65.85 -35.64 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 0.28 110.754 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.501 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -70.27 -25.7 63.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.757 -0.46 . . . . 0.91 109.757 177.102 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' 1869 ' ' GLN . 10.1 tp10 -77.49 -31.3 53.51 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.32 -0.4 . . . . 0.57 110.14 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.63 ' SD ' HD22 ' A' 1882 ' ' LEU . 4.3 mmt -55.05 -45.86 75.29 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.924 -0.58 . . . . 1.25 111.645 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.513 HG23 HG23 ' A' 1951 ' ' ILE . 14.2 p -62.93 -38.79 82.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.275 0.559 . . . . 0.59 110.988 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 89.8 m -76.1 -43.78 41.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.584 -0.735 . . . . 0.44 111.196 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.956 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -68.2 -45.67 72.73 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.342 -0.39 . . . . 1.4 111.977 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 22.4 p -56.92 -27.79 61.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.767 0.318 . . . . 1.11 111.853 -175.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -65.91 -52.55 49.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.112 -0.495 . . . . 0.76 111.769 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 6.1 t -109.69 -26.91 9.63 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.967 0.728 . . . . 1.32 112.967 -172.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 15.0 m -135.29 79.06 50.31 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 122.208 -0.308 . . . . 1.17 110.905 -173.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.32 -28.43 63.54 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.852 2.368 . . . . 0.67 113.348 -177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.61 -17.13 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.526 -0.47 . . . . 2.24 110.864 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -77.59 -10.42 59.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.89 111.3 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.63 HD22 ' SD ' ' A' 1871 ' ' MET . 86.6 mt -70.99 -25.36 62.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.34 110.778 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1883 ' ' GLY . . . . . 0.406 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.51 -55.71 23.81 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.786 -0.721 . . . . 0.38 113.063 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' 1883 ' ' GLY . 10.8 Cg_endo -58.39 -31.39 93.87 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.258 1.972 . . . . 0.58 112.351 175.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.65 HD11 ' HG3' ' A' 1874 ' ' LYS . 84.1 mt -73.92 -42.27 60.86 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 120.7 0.285 . . . . 0.37 110.621 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1886 ' ' ALA . . . . . 0.454 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.23 -35.56 73.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.222 0.535 . . . . 0.36 109.595 175.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -66.83 -50.25 63.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.351 -0.84 . . . . 1.43 111.121 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.84 -47.42 78.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.722 -0.672 . . . . 1.07 111.408 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.512 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.4 tp -54.62 -43.69 72.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.105 0.478 . . . . 0.25 110.113 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 66.0 m -66.74 -47.04 73.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.478 -0.783 . . . . 0.28 111.502 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 3.5 t -68.1 -42.09 80.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.254 -0.43 . . . . 1.17 111.122 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -73.34 -34.52 65.7 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.952 -0.299 . . . . 0.8 111.157 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1893 ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 50.7 t80 -59.56 -40.44 87.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.866 0.365 . . . . 0.31 110.276 175.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.86 -30.81 53.91 Favored Glycine 0 CA--C 1.521 0.409 0 CA-C-N 115.837 -0.62 . . . . 0.31 112.771 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -68.84 -49.52 57.7 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.928 -0.397 . . . . 3.04 109.928 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.751 HD21 ' HB ' ' A' 1860 ' ' THR . 69.2 mt -57.29 -43.73 83.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 0.86 110.318 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1897 ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -63.43 -25.71 68.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.497 -0.774 . . . . 0.49 111.687 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 25.4 m -86.67 -47.11 9.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.814 0.34 . . . . 1.38 110.512 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.93 -27.39 66.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 1.56 111.895 -176.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -61.26 -25.3 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.023 0.379 . . . . 0.34 112.023 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.797 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 10.0 mtpm? -72.39 -59.68 2.47 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-O 119.496 -0.288 . . . . 2.27 111.223 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.797 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 34.9 Cg_exo -62.81 -32.48 77.67 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.972 1.781 . . . . 0.6 112.411 176.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.64 91.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.976 0.417 . . . . 0.39 110.686 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1904 ' ' ALA . . . . . 0.407 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -62.48 -32.85 73.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 0.46 111.045 178.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 2.0 t -76.62 -39.89 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.028 -0.533 . . . . 1.26 110.818 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.03 66.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.685 -0.689 . . . . 0.64 110.857 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.02 143.64 54.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.939 -0.573 . . . . 0.85 110.293 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.37 -30.21 37.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.864 0.364 . . . . 2.67 111.359 -175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.481 ' HB3' HG12 ' A' 1912 ' ' ILE . 58.8 t30 -106.43 147.01 29.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.919 0.39 . . . . 2.18 111.03 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.76 -53.74 51.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.512 -0.767 . . . . 2.24 111.465 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1911 ' ' GLU . . . . . 0.573 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.7 mp0 -58.11 -29.2 65.3 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.978 -0.555 . . . . 2.49 111.392 -176.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.481 HG12 ' HB3' ' A' 1909 ' ' ASN . 48.9 mm -67.97 -46.0 82.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.58 0.228 . . . . 0.89 110.537 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -65.25 -40.74 96.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.68 -0.771 . . . . 0.51 111.709 178.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.98 89.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.169 0.509 . . . . 0.46 110.443 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' 1911 ' ' GLU . 5.3 t-80 -61.47 -45.46 94.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.438 -0.801 . . . . 1.62 110.93 -177.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.545 ' O ' HG23 ' A' 1920 ' ' VAL . 72.8 mt -59.53 -54.72 30.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.4 110.943 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.625 ' O ' ' HG2' ' A' 1921 ' ' GLN . 1.3 ptpm? -65.34 -32.34 73.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 1.36 111.259 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 7.9 m170 -69.58 -32.67 71.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.656 -0.247 . . . . 1.91 111.557 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.851 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 20.5 mmt180 -78.11 -25.23 47.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.821 0.343 . . . . 2.55 110.663 178.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' 1916 ' ' ILE . 48.6 t -72.31 -26.75 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.207 0.527 . . . . 0.35 109.795 174.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' 1917 ' ' LYS . 11.2 mm100 -61.33 -30.17 70.34 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.851 -0.613 . . . . 1.22 110.024 174.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.587 ' HG3' ' HA ' ' A' 1919 ' ' ARG . 2.2 mt-10 -63.81 -47.76 79.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.546 -0.752 . . . . 1.49 110.489 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.689 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 15.0 mt -70.12 -27.16 64.35 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.281 -0.637 . . . . 0.67 109.281 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1924 ' ' GLY . . . . . 0.411 ' C ' HD11 ' A' 1835 ' ' ILE . . . -56.18 -32.64 60.25 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.76 -0.733 . . . . 0.64 111.859 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -93.91 -48.48 6.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.691 0.281 . . . . 0.69 110.368 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -62.03 -52.86 47.13 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.155 -0.545 . . . . 0.25 113.096 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.689 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 91.3 m -64.68 -38.09 89.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.7 0.286 . . . . 1.22 110.551 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 11.8 t -63.04 -46.37 87.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.972 0.415 . . . . 1.03 110.244 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.48 97.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 0.28 110.803 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.456 HD12 HG21 ' A' 1957 ' ' VAL . 0.4 OUTLIER -61.96 -53.16 59.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.28 110.711 -178.302 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1931 ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' 1886 ' ' ALA . 30.2 m -66.17 -31.78 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.396 -0.365 . . . . 0.26 110.968 -177.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 82.2 m -69.27 -42.72 75.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.8 110.675 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.749 ' HE3' HG23 ' A' 1946 ' ' THR . 40.6 tptt -66.64 -38.02 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 1.27 110.346 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -55.47 -41.56 73.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.3 111.116 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -54.98 -40.97 75.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.219 -0.515 . . . . 0.4 112.664 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -77.58 -34.83 53.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.775 0.322 . . . . 0.5 110.779 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.82 -36.31 75.51 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.154 -0.476 . . . . 0.41 110.054 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -69.56 -26.1 64.32 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.807 -0.357 . . . . 1.06 110.981 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 36.1 t -77.2 -19.19 57.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 1.43 110.313 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 43.0 m -149.25 70.15 9.85 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.8 110.075 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.83 -16.01 53.2 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.974 2.449 . . . . 0.69 112.912 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.4 m -96.15 10.37 37.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.856 -0.611 . . . . 1.54 111.345 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -94.14 121.9 36.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.91 0.386 . . . . 1.16 110.385 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 18.3 m -69.58 -40.59 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.074 -0.512 . . . . 1.33 112.198 -175.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -67.88 -49.52 61.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.83 -0.168 . . . . 1.91 111.365 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.749 HG23 ' HE3' ' A' 1933 ' ' LYS . 27.2 m -59.68 -36.72 77.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.945 0.402 . . . . 0.6 110.691 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -70.95 -44.67 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 1.2 110.584 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' 1952 ' ' GLU . 59.6 tttp -62.56 -42.4 99.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.52 -0.309 . . . . 2.67 110.827 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.531 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 47.0 mt-10 -58.56 -36.16 73.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 1.53 110.999 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.8 tt -69.79 -36.37 75.64 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.959 -0.385 . . . . 0.31 109.959 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.513 HG23 HG23 ' A' 1872 ' ' VAL . 86.6 mt -61.19 -43.01 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.35 109.816 173.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.657 ' O ' ' HG3' ' A' 1956 ' ' ARG . 65.4 mm-40 -63.0 -39.5 94.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.846 -0.616 . . . . 2.11 109.92 175.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' 1957 ' ' VAL . 74.7 m -60.72 -43.94 97.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.437 -0.347 . . . . 0.88 110.611 176.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.19 -52.11 65.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.25 111.597 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.553 ' O ' ' HG3' ' A' 1959 ' ' GLU . 14.2 ptm180 -58.14 -34.27 70.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.672 -0.24 . . . . 3.21 111.514 -176.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' 1952 ' ' GLU . 18.8 mtm180 -68.41 -41.73 80.0 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.732 0.301 . . . . 3.16 110.784 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.906 ' HB ' HG21 ' A' 1868 ' ' VAL . 59.4 t -63.42 -45.32 98.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.3 110.333 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 35.5 m -57.68 -34.87 69.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.614 . . . . 1.13 111.224 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' 1955 ' ' ARG . 45.0 mt-10 -64.39 -39.09 93.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.333 0.587 . . . . 1.86 110.316 176.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.1 mmtt -73.43 -31.99 64.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.593 -0.731 . . . . 0.65 111.027 -175.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.835 HG11 ' HB2' ' A' 1865 ' ' ALA . 46.5 t -57.23 -44.88 84.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.774 0.321 . . . . 0.27 110.737 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 8.8 t -59.91 -37.81 80.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 1.3 110.226 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.851 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 63.7 m80 -67.77 -40.52 84.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.942 -0.572 . . . . 1.11 111.024 178.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' 1960 ' ' LYS . 59.9 t -63.89 -47.72 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.35 110.074 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.04 -50.21 73.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.738 -0.665 . . . . 0.35 110.912 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.63 -24.32 67.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.947 -0.569 . . . . 0.4 111.774 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -63.72 -30.15 71.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.36 -0.382 . . . . 0.46 111.072 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.692 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -74.53 -46.89 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.5 111.44 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -69.36 -15.49 63.33 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.893 0.378 . . . . 1.7 111.165 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 0.93 110.302 175.349 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.179 0.514 . . . . 0.74 110.67 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.28 -40.21 62.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.87 110.267 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 32.2 m -58.19 -40.62 82.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.97 110.288 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.521 HG23 ' CE2' ' A' 1893 ' ' TYR . 66.2 mt -64.9 -47.42 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.678 . . . . 0.32 110.649 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 27.4 m -62.79 -39.07 93.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.61 110.928 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -61.87 -44.64 96.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 2.49 110.354 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.559 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -55.71 -41.33 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.954 -0.566 . . . . 0.34 111.317 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.65 -48.37 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 0.49 111.083 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -77.19 -33.88 56.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.963 -0.562 . . . . 0.72 111.792 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1837 ' ' GLN . . . . . 0.559 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 14.9 pt20 -68.44 -28.88 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.224 -0.191 . . . . 1.0 111.058 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1838 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 1834 ' ' ALA . 78.8 mt . . . . . 0 C--N 1.332 -0.172 0 CA-C-O 121.021 0.439 . . . . 0.79 111.04 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' 1906 ' ' ALA . 60.2 t80 . . . . . 0 C--O 1.226 -0.138 0 CA-C-O 120.328 0.108 . . . . 0.68 111.178 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.3 p -59.07 -38.15 72.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.829 0.347 . . . . 0.79 111.364 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.83 -46.41 78.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 1.71 110.673 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.467 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 78.8 m-85 -76.06 -37.57 58.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.826 -0.625 . . . . 1.07 111.29 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.66 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 29.4 tt0 -56.56 -54.53 44.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.661 0.267 . . . . 0.99 111.039 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.495 ' O ' ' HG3' ' A' 1859 ' ' ARG . 17.1 p -59.35 -41.0 88.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 1.46 111.051 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 21.1 m -70.47 -40.35 73.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.318 -0.401 . . . . 0.42 111.007 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.472 ' SD ' ' HA ' ' A' 1900 ' ' ALA . 47.8 mtp -63.87 -50.79 67.42 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 111.723 0.268 . . . . 0.71 111.723 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.74 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.3 m -59.89 -33.16 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.712 -0.395 . . . . 0.29 110.806 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' 1855 ' ' THR . 62.3 mtp180 -67.79 -45.06 75.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 3.02 110.727 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.68 ' HB ' HD23 ' A' 1896 ' ' LEU . 6.4 m -70.29 -33.75 71.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.35 110.587 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.505 ' HB3' HD21 ' A' 1965 ' ' LEU . . . -62.22 -46.08 90.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.25 110.627 176.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.74 ' HG3' ' O ' ' A' 1858 ' ' VAL . 83.0 mttt -61.94 -31.33 71.64 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.953 0.406 . . . . 1.31 110.478 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.33 93.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.41 111.149 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.635 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -76.78 -26.83 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.627 -0.429 . . . . 0.28 110.117 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.781 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -69.05 -42.62 76.04 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.183 -0.462 . . . . 0.2 111.093 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.481 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.6 p -71.69 -23.97 22.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.213 0.53 . . . . 0.73 110.004 177.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 97.1 m -67.39 -52.34 41.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.883 -0.599 . . . . 0.25 110.563 173.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.773 HG21 ' HB ' ' A' 1957 ' ' VAL . 4.4 p -65.99 -34.95 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.432 -0.349 . . . . 0.28 111.416 -177.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.481 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.7 OUTLIER -66.77 -29.1 68.97 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.758 -0.46 . . . . 0.91 109.758 177.191 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -77.8 -35.83 50.98 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.226 -0.443 . . . . 0.57 109.938 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.497 ' SD ' ' HB2' ' A' 1885 ' ' LEU . 35.5 mmm -58.56 -46.81 86.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.366 -0.379 . . . . 1.25 111.385 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.42 ' CG2' HG23 ' A' 1951 ' ' ILE . 7.3 p -62.69 -32.29 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.532 0.682 . . . . 0.59 110.752 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 93.8 m -80.38 -44.59 19.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.201 -0.909 . . . . 0.44 110.733 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.66 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 7.1 mmpt? -67.13 -37.93 84.68 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.975 -0.557 . . . . 1.4 111.211 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 24.7 t -54.53 -24.41 20.68 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.808 0.299 . . . . 1.11 111.808 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -75.54 -52.2 11.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.891 0.33 . . . . 0.76 111.891 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 3.8 t -108.12 -16.76 14.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.48 0.548 . . . . 1.32 112.48 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 4.1 m -146.44 75.38 12.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.78 -0.452 . . . . 1.17 109.78 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -72.01 -13.6 28.93 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.488 2.125 . . . . 0.67 112.816 -174.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1880 ' ' GLU . . . . . 0.504 ' HA ' ' HG2' ' A' 1938 ' ' GLN . 0.1 OUTLIER -92.74 -20.23 20.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.949 0.404 . . . . 2.24 110.271 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -71.14 -9.44 58.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 1.89 110.834 173.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1882 ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.42 -25.45 68.02 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.76 -0.655 . . . . 0.34 110.365 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1883 ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.02 -55.51 26.14 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.985 -0.626 . . . . 0.38 113.37 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' 1883 ' ' GLY . 12.9 Cg_endo -59.83 -37.04 88.9 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.239 1.959 . . . . 0.58 112.47 175.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.62 HD11 ' HG3' ' A' 1874 ' ' LYS . 72.5 mt -71.98 -44.27 63.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.564 -0.289 . . . . 0.37 110.753 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.54 68.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.113 0.483 . . . . 0.36 109.869 174.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -71.57 -37.27 71.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.564 . . . . 1.43 110.784 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -69.77 -44.3 70.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.353 -0.385 . . . . 1.07 110.158 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.515 HD12 ' HB ' ' A' 1864 ' ' ILE . 45.2 tp -58.56 -33.52 70.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.25 110.134 176.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 54.3 m -74.85 -51.45 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.646 -0.706 . . . . 0.28 111.433 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1891 ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' 1895 ' ' ARG . 16.1 p -66.58 -49.99 64.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.497 . . . . 1.17 110.911 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.486 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 6.1 m-20 -64.1 -28.84 70.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.543 -0.753 . . . . 0.8 111.532 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1893 ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 63.8 t80 -66.06 -45.01 82.86 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.51 -0.476 . . . . 0.31 109.916 174.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.57 -39.89 91.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.31 111.727 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.486 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 94.0 mtt180 -63.98 -50.69 67.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.206 0.527 . . . . 3.04 110.302 175.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.68 HD23 ' HB ' ' A' 1860 ' ' THR . 1.3 tm? -62.55 -40.1 95.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.542 -0.753 . . . . 0.86 110.997 -177.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -69.49 -37.16 77.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.778 0.323 . . . . 0.49 111.098 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 9.5 t -64.38 -35.94 82.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.047 0.451 . . . . 1.38 110.03 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -77.18 -24.81 51.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.734 -0.667 . . . . 1.56 111.051 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1900 ' ' ALA . . . . . 0.472 ' HA ' ' SD ' ' A' 1857 ' ' MET . . . -68.98 -36.5 77.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.536 . . . . 0.34 112.09 -175.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.827 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 42.0 mtmt -59.65 -58.17 21.41 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 121.132 -0.227 . . . . 2.27 111.526 -178.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.827 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 21.7 Cg_exo -65.42 -29.14 53.92 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.128 1.886 . . . . 0.6 112.375 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1903 ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' 1853 ' ' TYR . . . -62.19 -46.02 90.81 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.149 0.5 . . . . 0.39 110.358 176.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1904 ' ' ALA . . . . . 0.466 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -60.75 -48.67 80.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.239 -0.891 . . . . 0.46 111.493 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' 1902 ' ' PRO . 12.2 p -70.4 -24.36 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.743 0.306 . . . . 1.26 111.33 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1906 ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -92.73 3.61 55.29 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.342 -0.224 . . . . 0.64 111.504 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.38 159.11 34.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.018 0.437 . . . . 0.85 111.347 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.01 -42.87 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 2.67 110.632 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.791 ' HB2' HG12 ' A' 1912 ' ' ILE . 61.8 m-20 -117.07 141.15 48.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.048 -0.524 . . . . 2.18 110.08 -178.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -57.74 -35.56 70.87 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.49 0.494 . . . . 2.24 110.744 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -65.11 -37.32 87.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 2.49 110.87 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.791 HG12 ' HB2' ' A' 1909 ' ' ASN . 51.6 mm -65.71 -44.66 93.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.648 -0.501 . . . . 0.89 109.648 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.26 -47.2 92.25 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.822 -0.704 . . . . 0.51 111.72 176.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.94 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.274 0.559 . . . . 0.46 110.342 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.8 t-80 -63.66 -40.49 96.98 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.314 -0.857 . . . . 1.62 110.627 -177.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' 1920 ' ' VAL . 82.3 mt -59.51 -53.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.719 0.295 . . . . 0.4 110.385 176.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' 1921 ' ' GLN . 92.9 mttt -54.86 -48.33 73.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.861 -0.609 . . . . 1.36 111.008 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 49.1 m80 -71.06 -28.48 64.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.842 -0.617 . . . . 1.91 112.185 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.694 ' HB3' HG22 ' A' 1964 ' ' VAL . 16.8 mmm180 -70.88 -36.82 72.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.723 0.297 . . . . 2.55 110.762 177.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' 1916 ' ' ILE . 37.8 t -72.9 -22.69 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.951 0.405 . . . . 0.35 110.452 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' 1917 ' ' LYS . 11.5 mm100 -60.56 -32.25 71.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.147 0.499 . . . . 1.22 109.899 174.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.14 -49.75 73.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.326 -0.852 . . . . 1.49 111.174 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.669 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 11.0 mt -65.15 -28.75 69.63 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.123 -0.695 . . . . 0.67 109.123 175.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1924 ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -56.6 -34.01 63.55 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.971 -0.633 . . . . 0.64 112.316 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -95.96 -43.3 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.618 0.247 . . . . 0.69 110.596 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.82 -53.45 27.29 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.144 -0.551 . . . . 0.25 112.835 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.669 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 96.9 m -63.97 -36.43 83.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.695 0.283 . . . . 1.22 110.421 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1928 ' ' SER . . . . . 0.411 ' HB2' HG21 ' A' 1831 ' ' ILE . 9.5 t -62.72 -47.53 83.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 1.03 109.951 176.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.82 92.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 0.28 110.761 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.646 HD11 HG23 ' A' 1868 ' ' VAL . 0.5 OUTLIER -63.33 -51.93 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.28 111.339 -178.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 16.6 m -67.25 -34.2 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.955 0.407 . . . . 0.26 110.774 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 94.6 m -68.21 -41.66 80.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.8 110.389 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.5 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 36.2 tptt -67.15 -39.29 86.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.831 -0.622 . . . . 1.27 110.236 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.82 77.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.049 -0.523 . . . . 0.3 111.173 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.09 84.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.4 112.459 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.49 -29.37 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 0.5 110.869 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -77.54 -36.37 52.38 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.552 -0.536 . . . . 0.41 109.552 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' A' 1880 ' ' GLU . 17.6 mt-30 -65.61 -25.52 67.42 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.924 0.392 . . . . 1.06 110.945 175.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 54.0 t -66.74 -27.97 68.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 1.43 110.278 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 55.8 m -154.25 76.74 5.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.532 -0.544 . . . . 0.8 109.532 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.84 -14.35 31.8 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.207 2.605 . . . . 0.69 112.582 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 28.4 m -85.41 -12.21 52.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.655 -0.702 . . . . 1.54 111.35 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.37 120.06 17.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 1.16 110.411 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 39.0 t -72.64 -44.94 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.113 -0.494 . . . . 1.33 111.531 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.433 ' O ' ' HG3' ' A' 1949 ' ' GLU . 41.6 t80 -66.25 -46.67 76.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 1.91 111.117 -174.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.483 HG23 ' HE3' ' A' 1933 ' ' LYS . 25.6 m -61.47 -38.27 86.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.068 0.461 . . . . 0.6 110.602 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' 1951 ' ' ILE . 38.1 ttpt -67.16 -44.78 78.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.796 -0.638 . . . . 1.2 110.114 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -55.31 -44.51 75.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 2.67 110.838 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.5 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 48.8 mt-10 -64.47 -39.48 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 1.53 111.369 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.62 -38.23 86.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.102 -0.333 . . . . 0.31 110.102 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' 1947 ' ' LYS . 89.6 mt -58.4 -40.75 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.35 110.165 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' 1956 ' ' ARG . 5.5 mm-40 -65.7 -45.52 82.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.903 -0.589 . . . . 2.11 110.46 175.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.711 ' HA ' ' HD3' ' A' 1956 ' ' ARG . 85.5 m -57.61 -40.96 80.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.88 110.661 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.417 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -61.58 -44.59 96.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.226 -0.443 . . . . 0.25 110.928 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -61.51 -40.57 95.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 3.21 110.515 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.711 ' HD3' ' HA ' ' A' 1953 ' ' CYS . 74.3 mtp180 -62.16 -50.37 72.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.736 -0.666 . . . . 3.16 111.148 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.773 ' HB ' HG21 ' A' 1868 ' ' VAL . 74.7 t -63.76 -44.28 98.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.3 111.681 -177.056 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.3 m -57.32 -35.88 70.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.922 0.391 . . . . 1.13 111.077 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -72.37 -32.55 66.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.195 -0.457 . . . . 1.86 111.37 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.64 ' O ' HG23 ' A' 1964 ' ' VAL . 73.8 mmtt -65.47 -43.99 88.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.153 -0.476 . . . . 0.65 110.625 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.781 HG11 ' HB2' ' A' 1865 ' ' ALA . 22.0 t -54.92 -44.86 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 O-C-N 123.661 0.601 . . . . 0.27 111.245 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 5.4 m -56.38 -41.69 76.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.007 0.432 . . . . 1.3 110.915 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.484 ' HB2' ' NH2' ' A' 1919 ' ' ARG . 13.9 m-70 -77.82 -23.18 49.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 1.11 111.088 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.694 HG22 ' HB3' ' A' 1919 ' ' ARG . 58.3 t -73.69 -43.32 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.877 -0.416 . . . . 0.35 109.877 175.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' 1861 ' ' ALA . 69.3 mt -61.09 -37.66 83.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.35 110.59 177.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -59.67 -24.49 63.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.798 -0.637 . . . . 0.4 111.607 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.97 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.46 110.796 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.66 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.2 mm? -72.35 -51.21 21.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.5 110.582 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -62.62 -19.17 63.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 1.7 111.585 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.028 -0.533 . . . . 0.93 111.028 178.015 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.3 0.571 . . . . 0.74 109.794 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.99 -36.27 80.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.49 -0.777 . . . . 0.87 110.773 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 8.7 t -60.56 -39.97 89.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.97 110.274 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 57.1 mt -63.94 -49.18 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.32 110.212 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 8.9 m -60.11 -45.72 92.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.61 110.94 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.75 -36.77 85.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.336 -0.393 . . . . 2.49 110.808 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -63.01 -28.23 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.34 111.577 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.24 -47.92 79.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.114 0.483 . . . . 0.49 110.42 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -66.09 -37.41 85.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.584 -0.734 . . . . 0.72 112.545 -172.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -62.4 -28.84 70.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.919 0.39 . . . . 1.0 111.467 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1838 ' ' LEU . . . . . 0.638 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 91.0 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.79 111.204 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 60.7 t80 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.643 0.259 . . . . 0.68 110.416 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 5.3 p -60.49 -34.22 57.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.333 -0.394 . . . . 0.79 111.321 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.32 -53.02 62.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.974 0.416 . . . . 1.71 110.532 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -67.54 -35.77 79.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.203 -0.453 . . . . 1.07 110.809 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.624 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.9 tt0 -57.05 -56.83 16.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.223 -0.444 . . . . 0.99 110.968 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.418 ' HA ' HG22 ' A' 1858 ' ' VAL . 3.7 t -63.47 -28.04 69.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 1.46 110.473 -176.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 33.3 m -74.76 -43.47 54.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.166 0.508 . . . . 0.42 110.421 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.2 mtp -69.95 -43.87 70.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.71 111.656 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.639 ' O ' ' HG2' ' A' 1862 ' ' LYS . 33.5 m -63.64 -38.21 81.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.478 -0.489 . . . . 0.29 110.871 -177.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -64.45 -43.05 95.47 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.042 0.449 . . . . 3.02 110.589 176.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.439 ' HB ' HD21 ' A' 1896 ' ' LEU . 38.7 m -67.3 -33.46 75.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.032 -0.531 . . . . 0.35 110.278 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.93 -38.38 90.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.25 110.222 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' 1858 ' ' VAL . 60.0 mmtt -61.26 -40.22 93.28 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.314 -0.625 . . . . 1.31 109.314 174.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.29 -40.64 81.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.161 -0.927 . . . . 0.41 111.674 -177.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.749 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -73.17 -28.48 26.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.227 -0.589 . . . . 0.28 109.789 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.778 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.47 -42.42 71.44 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.187 -0.46 . . . . 0.2 111.088 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.491 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.6 p -67.89 -27.61 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.312 -0.555 . . . . 0.73 109.883 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 92.0 m -68.27 -52.83 29.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.006 -0.543 . . . . 0.25 110.743 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.742 HG23 HD11 ' A' 1930 ' ' LEU . 2.9 p -65.03 -36.51 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.157 -0.217 . . . . 0.28 111.054 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.491 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -69.36 -26.49 64.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.148 0.499 . . . . 0.91 109.744 177.757 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.4 -35.39 54.36 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.739 -0.467 . . . . 0.57 109.739 176.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1871 ' ' MET . . . . . . . . . . . . . 27.7 mmm -60.27 -49.1 78.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.549 -0.296 . . . . 1.25 111.105 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.495 HG23 HG23 ' A' 1951 ' ' ILE . 4.8 p -62.56 -41.56 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.433 0.635 . . . . 0.59 110.706 178.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 42.6 m -67.85 -46.04 72.87 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.194 -0.912 . . . . 0.44 111.193 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1874 ' ' LYS . . . . . 1.006 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -66.97 -31.06 71.39 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 116.457 -0.338 . . . . 1.4 111.736 -178.811 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 56.1 m -62.13 -24.77 67.35 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 120.237 -0.585 . . . . 1.11 110.898 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -81.86 -32.92 30.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.872 -0.604 . . . . 0.76 111.698 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 3.5 p -109.73 -45.71 3.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.125 0.787 . . . . 1.32 113.125 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 71.5 m -143.14 87.61 8.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.327 -0.397 . . . . 1.17 111.061 -169.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -70.32 -2.27 10.3 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.72 2.28 . . . . 0.67 112.604 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.3 -24.5 37.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.037 0.446 . . . . 2.24 110.681 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' 1885 ' ' LEU . 49.7 mm-40 -81.02 -10.73 59.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 1.89 111.822 -176.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.506 HD12 HD12 ' A' 1937 ' ' LEU . 74.2 mt -64.43 -34.66 78.7 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.042 0.386 . . . . 0.34 112.042 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -61.75 -55.47 28.38 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 120.544 -0.836 . . . . 0.38 112.778 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.28 -39.17 86.9 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.694 2.263 . . . . 0.58 112.871 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.468 HD11 ' HG3' ' A' 1874 ' ' LYS . 75.6 mt -70.41 -45.24 66.32 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.03 -0.268 . . . . 0.37 110.951 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1886 ' ' ALA . . . . . 0.47 ' HB1' HG12 ' A' 1931 ' ' VAL . . . -57.8 -32.38 67.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.169 0.509 . . . . 0.36 109.984 173.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -68.44 -48.18 65.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 1.43 110.575 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -65.98 -41.93 90.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.734 -0.666 . . . . 1.07 110.533 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 55.1 tp -56.51 -42.38 78.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.238 0.542 . . . . 0.25 109.719 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 36.7 m -63.46 -46.66 85.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.428 -0.805 . . . . 0.28 111.344 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 11.0 t -66.48 -49.87 65.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 1.17 111.359 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.85 -28.68 66.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.214 -0.448 . . . . 0.8 111.796 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 46.3 t80 -64.67 -41.51 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.93 -0.308 . . . . 0.31 110.653 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -68.15 -33.93 79.74 Favored Glycine 0 CA--C 1.505 -0.538 0 N-CA-C 110.306 -1.118 . . . . 0.31 110.306 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.73 -45.1 94.32 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.382 -0.909 . . . . 3.04 110.14 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.439 HD21 ' HB ' ' A' 1860 ' ' THR . 28.7 mt -59.33 -51.56 69.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.86 110.98 174.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1897 ' ' ALA . . . . . 0.435 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -60.46 -43.91 96.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.87 -0.605 . . . . 0.49 112.197 -176.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 73.1 m -61.9 -39.94 93.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.807 -0.179 . . . . 1.38 111.314 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.4 ' C ' ' HD2' ' A' 1902 ' ' PRO . 93.9 mt-30 -77.29 -23.82 51.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.647 0.261 . . . . 1.56 111.525 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.46 -32.23 73.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.34 111.931 -177.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.747 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 9.1 mtpm? -64.76 -55.55 27.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.679 -0.237 . . . . 2.27 111.338 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.747 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 33.9 Cg_exo -59.93 -31.38 93.6 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.019 1.812 . . . . 0.6 112.208 173.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.28 96.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.39 110.645 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -64.71 -43.95 91.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.99 -0.55 . . . . 0.46 111.427 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' 1902 ' ' PRO . 11.8 p -75.56 -28.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.534 -0.303 . . . . 1.26 111.427 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.29 -13.96 56.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.64 110.95 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.45 142.39 56.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.036 -0.529 . . . . 0.85 110.662 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.77 -1.8 44.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.17 0.509 . . . . 2.67 110.738 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.513 ' HB3' HG12 ' A' 1912 ' ' ILE . 53.4 t-20 -141.26 128.18 20.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.196 -0.668 . . . . 2.18 109.196 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -66.26 -33.84 76.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.66 0.267 . . . . 2.24 110.782 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.3 -35.42 77.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 2.49 110.342 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.533 ' O ' HG13 ' A' 1916 ' ' ILE . 47.2 mm -66.05 -51.08 64.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.905 -0.588 . . . . 0.89 110.059 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.54 -40.67 99.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.918 -0.658 . . . . 0.51 112.248 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1914 ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' A' 1917 ' ' LYS . . . -64.33 -39.66 94.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.996 0.427 . . . . 0.46 110.541 176.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.459 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.6 t-80 -65.87 -37.96 87.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.104 -0.498 . . . . 1.62 109.984 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' 1912 ' ' ILE . 92.1 mt -63.15 -55.3 24.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.198 -0.456 . . . . 0.4 110.811 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.654 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.9 ptpt -60.37 -40.24 90.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.36 111.055 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1918 ' ' HIS . . . . . 0.458 ' N ' ' HG3' ' A' 1917 ' ' LYS . 27.4 m170 -70.3 -26.68 63.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.607 -0.27 . . . . 1.91 111.592 -175.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.801 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 23.2 mmt180 -79.44 -26.59 41.76 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.827 -0.349 . . . . 2.55 110.947 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' 1916 ' ' ILE . 28.9 t -72.86 -28.43 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.086 -0.709 . . . . 0.35 109.086 172.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' 1917 ' ' LYS . 10.1 mm100 -62.03 -40.71 96.65 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.337 -0.616 . . . . 1.22 109.337 172.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.923 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 1.6 mt-10 -55.51 -49.74 71.8 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.418 -0.81 . . . . 1.49 109.734 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.15 -41.64 97.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.196 -0.911 . . . . 0.67 111.02 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.59 -45.93 66.87 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.25 -0.5 . . . . 0.64 112.782 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -75.53 -41.03 56.1 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.93 -0.308 . . . . 0.69 110.636 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.98 -52.34 28.99 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.977 -0.63 . . . . 0.25 112.842 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 77.3 m -62.66 -37.69 87.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.596 0.198 . . . . 1.22 111.056 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 23.4 t -58.28 -47.83 82.4 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.231 0.539 . . . . 1.03 109.994 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.17 95.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.572 -0.74 . . . . 0.28 110.532 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.742 HD11 HG23 ' A' 1868 ' ' VAL . 1.6 mt -59.31 -53.22 60.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.797 -0.638 . . . . 0.28 111.577 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1931 ' ' VAL . . . . . 0.47 HG12 ' HB1' ' A' 1886 ' ' ALA . 26.7 m -66.18 -34.76 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.26 110.893 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 92.0 m -68.1 -43.26 78.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.139 -0.482 . . . . 0.8 110.838 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.501 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.9 tptt -67.85 -40.19 83.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 1.27 110.177 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1934 ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -61.86 -37.95 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.3 111.159 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.23 -41.07 96.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.757 -0.735 . . . . 0.4 111.753 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.96 -33.71 63.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.952 0.406 . . . . 0.5 110.641 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.506 HD12 HD12 ' A' 1882 ' ' LEU . 2.8 tm? -69.6 -36.47 76.25 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 116.117 -0.492 . . . . 0.41 110.08 -177.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -70.48 -26.31 63.56 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.445 -0.502 . . . . 1.06 111.225 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.0 m -77.24 -29.35 54.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.963 0.411 . . . . 1.43 110.259 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 5.2 m -135.23 69.29 69.32 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.05 -0.523 . . . . 0.8 109.804 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.21 -6.42 17.29 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.605 2.204 . . . . 0.69 112.401 -174.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 49.7 m -108.76 9.06 27.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.669 -0.696 . . . . 1.54 111.061 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -91.3 111.83 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.851 -0.425 . . . . 1.16 109.851 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 31.1 m -67.42 -36.85 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.33 111.728 -174.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 51.0 t80 -63.61 -50.47 69.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.946 -0.57 . . . . 1.91 111.027 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.423 ' HA ' ' HE3' ' A' 1933 ' ' LYS . 32.0 m -61.77 -41.9 98.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.267 -0.424 . . . . 0.6 110.917 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.425 ' HB2' HD21 ' A' 1937 ' ' LEU . 38.6 ttpt -66.09 -45.63 80.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 1.2 110.603 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 83.9 tttt -57.22 -46.13 83.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.834 -0.621 . . . . 2.67 110.838 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.501 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 28.2 mt-10 -64.5 -37.63 88.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 1.53 111.461 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.34 -37.89 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.806 -0.442 . . . . 0.31 109.806 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.495 HG23 HG23 ' A' 1872 ' ' VAL . 76.7 mt -58.31 -46.79 88.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.799 -0.445 . . . . 0.35 109.799 173.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' 1956 ' ' ARG . 25.6 mm-40 -59.23 -48.37 81.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.901 -0.59 . . . . 2.11 110.847 175.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' 1957 ' ' VAL . 81.8 m -57.29 -45.13 84.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.88 110.688 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.412 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -61.36 -43.64 98.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.25 111.07 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.498 ' O ' ' HG3' ' A' 1959 ' ' GLU . 57.7 mtp180 -61.16 -41.97 97.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.45 . . . . 3.21 110.358 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' 1960 ' ' LYS . 77.8 mtp180 -64.57 -43.49 93.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.061 -0.518 . . . . 3.16 111.135 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.656 ' HB ' HG21 ' A' 1868 ' ' VAL . 87.6 t -66.08 -38.44 82.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.543 -0.299 . . . . 0.3 110.823 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 35.1 t -56.19 -37.3 69.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 1.13 110.215 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' 1955 ' ' ARG . 38.1 mt-10 -69.82 -33.38 72.24 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.099 -0.501 . . . . 1.86 110.433 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.923 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.2 mmtt -67.2 -35.85 80.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.863 -0.608 . . . . 0.65 110.159 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.778 HG11 ' HB2' ' A' 1865 ' ' ALA . 43.9 t -58.28 -46.16 89.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.381 -0.372 . . . . 0.27 110.564 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 47.9 t -59.71 -37.4 78.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 1.3 110.053 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.801 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 24.8 m170 -65.03 -41.08 95.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.521 . . . . 1.11 110.871 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' 1960 ' ' LYS . 61.5 t -69.01 -45.33 80.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.35 110.56 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.7 -45.34 94.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.175 -0.466 . . . . 0.35 110.665 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.79 66.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 0.4 111.189 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.56 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.46 110.382 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.624 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -70.01 -46.28 65.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.054 -0.521 . . . . 0.5 110.48 176.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -63.03 -21.73 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 1.7 111.835 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 121.028 0.442 . . . . 0.93 110.617 176.794 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.15 0.5 . . . . 0.74 110.077 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.36 -30.46 71.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.712 -0.677 . . . . 0.87 110.456 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 46.1 m -66.29 -32.39 73.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.97 110.67 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.521 HG23 ' CE2' ' A' 1893 ' ' TYR . 66.7 mt -70.11 -46.17 73.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.089 -0.505 . . . . 0.32 110.097 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 4.4 m -65.71 -37.87 87.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.846 -0.616 . . . . 0.61 110.441 177.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -58.15 -43.41 87.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.329 -0.851 . . . . 2.49 109.847 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.558 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -61.27 -36.33 79.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.11 -0.95 . . . . 0.34 111.501 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1835 ' ' ILE . . . . . 0.497 ' HA ' ' OE1' ' A' 1921 ' ' GLN . 34.7 mt -62.6 -40.43 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 0.49 110.54 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -77.24 -40.27 45.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.057 -0.52 . . . . 0.72 111.108 -175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1837 ' ' GLN . . . . . 0.558 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.3 pt20 -64.09 -31.82 73.15 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.642 0.238 . . . . 1.0 111.642 -175.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 83.0 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 120.805 0.336 . . . . 0.79 110.729 -178.943 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' A' 1906 ' ' ALA . 45.5 t80 . . . . . 0 N--CA 1.457 -0.109 0 N-CA-C 110.202 -0.296 . . . . 0.68 110.202 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 4.9 p -57.77 -38.75 67.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.12 -0.491 . . . . 0.79 111.579 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1852 ' ' ASP . . . . . 0.412 ' O ' HG22 ' A' 1855 ' ' THR . 13.9 t70 -64.35 -55.67 19.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.896 0.379 . . . . 1.71 110.514 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -63.83 -36.75 84.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 1.07 110.579 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.654 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.7 tt0 -58.63 -55.74 31.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.5 . . . . 0.99 110.944 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.412 HG22 ' O ' ' A' 1852 ' ' ASP . 1.5 t -64.68 -26.09 68.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.485 . . . . 1.46 110.618 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 16.5 m -75.54 -46.08 34.23 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.359 -0.382 . . . . 0.42 110.029 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.4 mtp -66.21 -45.84 79.33 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.71 111.982 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.719 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.8 m -60.08 -37.29 72.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.71 -0.396 . . . . 0.29 111.227 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -71.89 -42.07 67.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.798 0.332 . . . . 3.02 110.755 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.485 ' HB ' HD21 ' A' 1896 ' ' LEU . 16.6 m -65.87 -35.06 79.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.35 110.591 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.538 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.02 -43.18 96.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.25 110.585 176.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' 1858 ' ' VAL . 63.4 mttm -61.77 -32.35 72.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.984 0.421 . . . . 1.31 110.636 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.47 82.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.41 111.169 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.749 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.84 -26.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.374 -0.53 . . . . 0.28 109.946 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.889 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -72.08 -41.33 67.47 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.263 -0.426 . . . . 0.2 111.499 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.4 p -66.78 -27.77 40.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.165 0.507 . . . . 0.73 109.832 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 85.2 m -71.52 -45.84 61.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.61 . . . . 0.25 110.986 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.836 HG21 ' HB ' ' A' 1957 ' ' VAL . 3.9 p -71.65 -33.67 49.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 O-C-N 122.292 -0.255 . . . . 0.28 111.379 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -69.46 -26.39 64.56 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.185 -0.672 . . . . 0.91 109.185 175.574 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' 1869 ' ' GLN . 7.1 tp10 -75.47 -35.67 60.81 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.634 -0.712 . . . . 0.57 109.907 176.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.57 ' SD ' HD22 ' A' 1882 ' ' LEU . 4.9 mmt -51.49 -56.4 13.53 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.11 -0.495 . . . . 1.25 111.838 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.537 HG23 HG23 ' A' 1951 ' ' ILE . 8.6 p -59.04 -36.95 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 0.59 110.894 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 99.1 m -75.18 -42.39 55.94 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.099 -0.955 . . . . 0.44 111.238 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.825 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -74.6 -34.52 62.86 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.531 -0.304 . . . . 1.4 111.653 -178.641 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 24.6 t -60.83 -27.39 68.03 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.184 0.516 . . . . 1.11 110.408 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -81.86 -26.65 34.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.781 -0.645 . . . . 0.76 111.787 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 7.4 p -109.52 -45.98 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.097 0.777 . . . . 1.32 113.097 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.2 t -149.36 98.47 3.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.53 -0.544 . . . . 1.17 109.53 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.97 -19.32 63.83 Favored 'Trans proline' 0 C--N 1.339 0.073 0 C-N-CA 122.805 2.337 . . . . 0.67 112.823 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.58 -15.54 59.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.781 0.324 . . . . 2.24 111.294 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.698 ' O ' ' HG ' ' A' 1885 ' ' LEU . 37.5 mm-40 -76.23 -19.74 58.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.799 0.333 . . . . 1.89 110.447 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.57 HD22 ' SD ' ' A' 1871 ' ' MET . 88.4 mt -67.18 -32.97 74.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.923 -0.58 . . . . 0.34 111.699 -174.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -61.82 -55.57 27.66 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.714 -0.755 . . . . 0.38 112.692 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -54.4 -38.47 89.33 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.664 2.243 . . . . 0.58 112.498 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.7 mt -69.68 -43.07 73.27 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.718 0.294 . . . . 0.37 110.498 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1886 ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.29 -31.95 69.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.173 0.511 . . . . 0.36 109.914 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.03 -46.06 58.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.589 -0.732 . . . . 1.43 110.446 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -67.32 -42.22 84.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 1.07 110.621 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 42.3 tp -58.5 -35.89 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.154 0.502 . . . . 0.25 109.823 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 47.9 m -68.22 -51.8 41.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.576 -0.738 . . . . 0.28 111.233 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 65.1 p -63.95 -47.89 78.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.293 0.568 . . . . 1.17 111.257 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.415 ' CB ' HG22 ' A' 1864 ' ' ILE . 1.4 m-20 -66.15 -32.66 74.24 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.347 -0.842 . . . . 0.8 111.583 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1893 ' ' TYR . . . . . 0.521 ' CE2' HG23 ' A' 1831 ' ' ILE . 66.4 t80 -65.8 -43.22 89.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.733 0.301 . . . . 0.31 110.42 176.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.61 -29.15 63.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.013 -0.613 . . . . 0.31 112.087 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -70.14 -46.67 64.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.149 -0.315 . . . . 3.04 110.149 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.485 HD21 ' HB ' ' A' 1860 ' ' THR . 17.2 mt -60.48 -39.75 88.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.327 -0.397 . . . . 0.86 110.974 176.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.43 72.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.027 -0.533 . . . . 0.49 111.339 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 36.8 t -74.37 -36.83 63.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.14 -0.482 . . . . 1.38 110.431 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -75.77 -30.68 59.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.948 -0.569 . . . . 1.56 111.526 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1900 ' ' ALA . . . . . 0.405 ' HB2' HG21 ' A' 1920 ' ' VAL . . . -65.0 -35.88 82.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.355 0.502 . . . . 0.34 112.355 -175.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1901 ' ' LYS . . . . . . . . . . . . . 47.7 mttm -56.37 -58.74 14.96 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.166 0.432 . . . . 2.27 112.166 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1902 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.63 -29.18 13.34 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 121.737 1.625 . . . . 0.6 112.632 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.81 99.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.39 111.018 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1904 ' ' ALA . . . . . 0.405 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -62.6 -42.54 99.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 0.46 111.723 -178.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 7.9 p -77.04 -27.38 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.352 -0.386 . . . . 1.26 111.618 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1906 ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -93.94 0.5 56.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.652 0.263 . . . . 0.64 111.578 -176.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1907 ' ' ALA . . . . . 0.415 ' HA ' ' CD1' ' A' 1850 ' ' PHE . . . -67.34 155.55 38.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.457 . . . . 0.85 111.568 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -61.21 -51.54 68.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.662 -0.699 . . . . 2.67 111.747 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.777 ' HB2' HD13 ' A' 1912 ' ' ILE . 65.7 m-20 -116.37 159.99 21.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.49 -0.323 . . . . 2.18 110.354 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.07 -33.93 76.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 2.24 110.908 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.34 -44.72 78.36 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.855 0.36 . . . . 2.49 110.239 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.777 HD13 ' HB2' ' A' 1909 ' ' ASN . 2.0 mp -58.53 -49.48 82.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 0.89 110.187 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -62.16 -42.06 99.72 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.722 -0.752 . . . . 0.51 112.415 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.25 87.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.034 0.445 . . . . 0.46 110.753 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' A' 1919 ' ' ARG . 16.2 m-70 -68.38 -37.32 80.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 1.62 110.93 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' 1912 ' ' ILE . 70.3 mt -56.56 -54.96 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.592 0.234 . . . . 0.4 111.197 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.524 ' O ' ' HG2' ' A' 1921 ' ' GLN . 19.7 ptpt -63.15 -34.6 77.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 1.36 110.85 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -71.36 -37.7 71.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.052 0.39 . . . . 1.91 112.052 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.699 ' HA ' ' HG3' ' A' 1922 ' ' GLU . 37.9 mmt180 -70.15 -29.3 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.771 0.32 . . . . 2.55 111.508 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.405 HG21 ' HB2' ' A' 1900 ' ' ALA . 39.9 t -71.69 -27.86 29.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.097 0.475 . . . . 0.35 110.085 178.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' 1917 ' ' LYS . 5.4 mm-40 -68.68 -25.66 64.91 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.717 -0.475 . . . . 1.22 109.717 177.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.736 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 9.0 mt-10 -67.16 -45.2 77.72 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.0 -0.546 . . . . 1.49 109.714 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.666 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.2 mt -66.67 -30.43 70.68 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.805 -0.813 . . . . 0.67 108.805 173.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1924 ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -56.36 -31.38 59.63 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.792 -0.718 . . . . 0.64 112.128 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -94.58 -42.96 8.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.673 0.273 . . . . 0.69 110.817 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.65 -55.11 12.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.843 -0.694 . . . . 0.25 112.626 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 87.7 m -61.36 -37.75 84.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.281 0.232 . . . . 1.22 110.861 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1928 ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' 1924 ' ' GLY . 9.2 t -62.69 -46.34 88.62 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.989 0.424 . . . . 1.03 110.023 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.86 93.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.28 110.646 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.6 HD12 HG21 ' A' 1957 ' ' VAL . 0.4 OUTLIER -61.65 -53.07 61.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.28 110.785 -178.475 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1931 ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' 1886 ' ' ALA . 28.9 m -63.04 -38.13 81.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.773 0.32 . . . . 0.26 110.793 -178.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 98.3 m -62.44 -45.97 90.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.224 0.535 . . . . 0.8 110.385 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.532 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.8 tptt -67.25 -38.22 84.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.481 -0.781 . . . . 1.27 110.852 -176.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1934 ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -60.51 -42.39 96.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.603 -0.271 . . . . 0.3 111.449 177.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.33 98.01 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.479 -0.867 . . . . 0.4 111.587 176.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.24 -23.77 59.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.861 0.362 . . . . 0.5 111.032 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.553 HD12 HD12 ' A' 1882 ' ' LEU . 2.7 tm? -77.43 -34.98 54.45 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.509 -0.552 . . . . 0.41 109.509 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -69.95 -25.97 63.9 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.302 -0.559 . . . . 1.06 110.043 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 35.3 t -77.38 -17.89 57.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.342 -0.844 . . . . 1.43 110.423 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 22.9 m -150.95 67.57 7.81 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.8 110.14 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -67.42 -15.71 46.04 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.704 2.269 . . . . 0.69 113.089 -173.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 23.1 t -104.69 5.89 33.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.281 -0.418 . . . . 1.54 110.711 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -89.65 112.87 24.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.734 0.302 . . . . 1.16 110.527 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 13.6 m -64.31 -37.69 80.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.049 -0.523 . . . . 1.33 112.062 -176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.48 ' O ' ' HG3' ' A' 1949 ' ' GLU . 36.2 t80 -60.29 -52.2 66.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.717 0.294 . . . . 1.91 110.464 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 32.4 m -63.35 -44.1 95.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.6 111.289 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.51 -47.27 82.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 1.2 111.005 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.56 -41.2 89.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 2.67 110.782 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.532 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 49.5 mt-10 -66.08 -36.04 82.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 1.53 111.007 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.3 -39.67 85.96 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.927 -0.398 . . . . 0.31 109.927 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.581 ' O ' ' HG3' ' A' 1955 ' ' ARG . 81.2 mt -57.62 -44.33 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 0.35 109.845 175.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -62.18 -42.96 99.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.826 -0.625 . . . . 2.11 111.057 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.54 ' O ' HG23 ' A' 1957 ' ' VAL . 71.8 m -59.31 -44.51 92.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.88 110.414 177.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.86 89.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.25 110.889 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' 1951 ' ' ILE . 82.2 mtp180 -60.65 -46.47 90.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.512 . . . . 3.21 110.456 177.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.556 ' O ' ' HG2' ' A' 1960 ' ' LYS . 46.7 mtm180 -64.65 -43.7 92.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.734 -0.666 . . . . 3.16 111.269 -178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.836 ' HB ' HG21 ' A' 1868 ' ' VAL . 61.4 t -62.79 -44.73 99.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.595 0.236 . . . . 0.3 110.569 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 41.9 m -55.91 -37.56 69.07 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.282 -0.417 . . . . 1.13 110.804 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.2 mt-10 -60.85 -51.36 69.65 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.148 0.499 . . . . 1.86 110.335 176.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.736 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.2 mmtt -59.42 -37.66 78.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.268 -0.878 . . . . 0.65 111.382 -173.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.889 HG11 ' HB2' ' A' 1865 ' ' ALA . 23.8 t -55.51 -44.99 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.053 0.454 . . . . 0.27 110.473 178.091 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 22.7 t -62.94 -37.94 89.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.756 -0.656 . . . . 1.3 110.125 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.567 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 76.8 m80 -67.38 -40.39 85.69 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.247 -0.433 . . . . 1.11 110.425 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' 1919 ' ' ARG . 62.3 t -62.31 -50.62 79.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.089 0.471 . . . . 0.35 110.102 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.21 -36.1 74.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.738 -0.665 . . . . 0.35 110.907 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.01 85.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.415 -0.357 . . . . 0.4 111.033 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.78 99.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.368 -0.378 . . . . 0.46 111.252 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.654 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.0 mm? -68.84 -51.69 37.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.5 111.098 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -14.93 63.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.168 -0.469 . . . . 1.7 111.706 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.963 0.411 . . . . 0.93 110.898 175.575 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.235 0.322 0 CA-C-O 121.091 0.472 . . . . 0.74 111.246 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.42 -44.46 78.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.25 0.548 . . . . 0.87 110.322 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 14.8 m -64.59 -38.55 91.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.513 -0.767 . . . . 0.97 111.055 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.41 -44.53 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.141 0.496 . . . . 0.32 110.601 177.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 34.3 m -64.7 -32.98 74.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.84 -0.618 . . . . 0.61 111.166 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.56 -39.12 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.777 -0.453 . . . . 2.49 109.777 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -62.19 -32.72 73.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.845 -0.616 . . . . 0.34 111.2 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1835 ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' 1924 ' ' GLY . 43.5 mt -64.79 -51.32 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.49 110.347 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -65.94 -30.27 70.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.664 -0.698 . . . . 0.72 112.27 -173.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1837 ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' 1834 ' ' ALA . 11.4 pt20 -72.07 -34.69 68.89 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.075 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1838 ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' 1917 ' ' LYS . 74.4 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.79 111.159 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.479 ' HE1' HD11 ' A' 1916 ' ' ILE . 87.1 t80 . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 110.236 -0.283 . . . . 0.68 110.236 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.9 p -62.34 -36.35 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.79 111.137 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.9 -48.36 76.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.075 0.464 . . . . 1.71 110.365 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.417 ' HD1' ' HB3' ' A' 1899 ' ' GLN . 50.4 m-85 -67.78 -42.42 81.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.039 -0.528 . . . . 1.07 110.708 176.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.654 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 56.8 tt0 -56.32 -55.46 33.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.829 -0.623 . . . . 0.99 111.414 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' 1859 ' ' ARG . 10.9 t -60.47 -28.18 68.13 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.35 -0.386 . . . . 1.46 110.633 -177.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 33.9 m -78.0 -51.69 9.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.203 -0.453 . . . . 0.42 110.825 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 81.9 mtp -60.66 -41.38 94.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.518 . . . . 0.71 112.092 -176.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.716 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -62.81 -31.73 53.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.461 -0.495 . . . . 0.29 111.072 -178.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' 1855 ' ' THR . 34.4 mtt180 -70.89 -44.02 67.17 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.02 0.438 . . . . 3.02 110.15 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.431 ' HB ' HD21 ' A' 1896 ' ' LEU . 32.0 m -66.18 -34.74 78.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.648 -0.706 . . . . 0.35 110.756 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.516 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.36 -43.58 98.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.425 -0.352 . . . . 0.25 110.447 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.716 ' HG3' ' O ' ' A' 1858 ' ' VAL . 83.4 mttt -61.83 -35.03 77.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.252 0.549 . . . . 1.31 110.056 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.58 -42.67 77.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.658 -0.701 . . . . 0.41 111.459 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.727 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -72.32 -26.16 24.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.292 -0.563 . . . . 0.28 109.652 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.827 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.98 -40.48 78.77 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.892 -0.595 . . . . 0.2 111.267 178.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.488 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.6 p -73.79 -27.37 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.161 -0.616 . . . . 0.73 109.836 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.519 HG21 ' HB2' ' A' 1889 ' ' LEU . 61.7 m -64.85 -50.55 66.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.05 -0.523 . . . . 0.25 110.55 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.736 HG23 HD11 ' A' 1930 ' ' LEU . 2.8 p -66.3 -37.59 80.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.698 -0.228 . . . . 0.28 111.287 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.488 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.6 OUTLIER -66.76 -26.89 67.19 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.757 -0.46 . . . . 0.91 109.757 178.42 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.445 ' HG3' ' HG3' ' A' 1874 ' ' LYS . 5.1 tp10 -77.4 -43.57 32.2 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 109.689 -0.486 . . . . 0.57 109.689 176.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.444 ' SD ' ' HB2' ' A' 1885 ' ' LEU . 34.7 mmm -58.03 -47.76 82.12 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.292 -0.413 . . . . 1.25 111.606 -177.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.538 HG23 ' HA ' ' A' 1951 ' ' ILE . 12.3 p -60.32 -33.44 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.409 0.623 . . . . 0.59 110.571 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 92.9 m -80.57 -47.95 13.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.253 -0.885 . . . . 0.44 111.281 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.445 ' HG3' ' HG3' ' A' 1870 ' ' GLU . 7.9 mmpt? -63.08 -28.61 70.19 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.181 -0.463 . . . . 1.4 111.643 -176.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 48.8 m -56.9 -24.12 49.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.075 0.464 . . . . 1.11 111.246 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -81.26 -38.89 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.999 -0.546 . . . . 0.76 111.796 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 68.5 p -108.71 -33.01 7.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.569 0.581 . . . . 1.32 112.569 -172.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.3 m -145.22 83.25 9.3 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.238 -0.437 . . . . 1.17 110.972 -165.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.3 -31.36 53.07 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.343 2.028 . . . . 0.67 112.478 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.99 -28.26 66.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.443 -0.344 . . . . 2.24 111.573 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.44 -11.0 60.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.739 0.304 . . . . 1.89 111.095 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1882 ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.03 -26.04 65.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.228 -0.442 . . . . 0.34 110.72 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.39 -55.69 17.07 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.412 -0.899 . . . . 0.38 112.697 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.74 -39.85 78.32 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.672 2.248 . . . . 0.58 112.742 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.444 ' HB2' ' SD ' ' A' 1871 ' ' MET . 74.3 mt -69.73 -43.84 71.51 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.564 -0.289 . . . . 0.37 110.826 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.53 -34.84 67.42 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.091 0.472 . . . . 0.36 110.296 174.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -69.08 -44.75 71.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.653 -0.703 . . . . 1.43 110.587 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.45 -41.88 83.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.158 -0.474 . . . . 1.07 110.484 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.519 ' HB2' HG21 ' A' 1867 ' ' THR . 54.2 tp -57.04 -39.84 75.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.218 0.532 . . . . 0.25 109.693 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 54.7 m -71.12 -44.0 66.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.305 -0.861 . . . . 0.28 111.811 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 50.5 p -72.32 -51.37 21.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.791 0.329 . . . . 1.17 111.036 -175.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.63 -39.34 76.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.102 -0.499 . . . . 0.8 110.811 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1893 ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 51.1 t80 -64.12 -44.19 92.96 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.656 0.265 . . . . 0.31 110.867 176.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.67 -37.51 83.68 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.888 -0.673 . . . . 0.31 111.619 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -65.74 -45.84 81.09 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.114 -0.328 . . . . 3.04 110.114 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.431 HD21 ' HB ' ' A' 1860 ' ' THR . 42.8 mt -52.92 -51.75 60.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.86 110.475 174.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1897 ' ' ALA . . . . . 0.473 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -63.21 -30.94 71.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.631 . . . . 0.49 111.802 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1898 ' ' SER . . . . . 0.434 ' O ' ' HD2' ' A' 1902 ' ' PRO . 49.9 m -71.18 -60.16 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.769 -0.196 . . . . 1.38 110.744 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.417 ' HB3' ' HD1' ' A' 1853 ' ' TYR . 1.1 mp0 -63.21 -24.5 67.91 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.405 0.52 . . . . 1.56 112.405 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.9 -31.0 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.088 0.403 . . . . 0.34 112.088 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.431 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 77.9 tttt -70.06 -55.26 8.58 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.536 -0.302 . . . . 2.27 111.327 -174.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' 1898 ' ' SER . 25.7 Cg_endo -64.75 -29.25 59.62 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 121.916 1.744 . . . . 0.6 112.166 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.67 87.02 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.977 0.418 . . . . 0.39 110.367 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1904 ' ' ALA . . . . . 0.505 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -62.67 -43.81 97.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.529 -0.76 . . . . 0.46 111.479 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 9.2 p -76.77 -27.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 1.26 111.263 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -67.91 -29.33 68.39 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.021 0.439 . . . . 0.64 110.705 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.97 148.04 51.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.759 -0.655 . . . . 0.85 110.038 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.45 -24.98 29.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 2.67 110.532 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.693 ' HB2' HG12 ' A' 1912 ' ' ILE . 90.4 m-20 -97.66 123.05 41.42 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.768 -0.456 . . . . 2.18 109.768 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.84 -35.63 75.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.169 0.509 . . . . 2.24 109.888 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1911 ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' 1915 ' ' HIS . 2.0 mp0 -62.52 -34.81 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.747 -0.66 . . . . 2.49 110.855 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.693 HG12 ' HB2' ' A' 1909 ' ' ASN . 46.5 mm -66.45 -47.0 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.52 -0.548 . . . . 0.89 109.52 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -60.15 -44.34 97.46 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.652 -0.704 . . . . 0.51 111.965 176.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.9 94.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.255 0.55 . . . . 0.46 110.116 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' 1911 ' ' GLU . 2.9 t-160 -62.25 -40.16 95.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.886 -1.052 . . . . 1.62 110.544 -177.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' 1920 ' ' VAL . 93.2 mt -62.0 -55.33 24.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.364 -0.38 . . . . 0.4 110.796 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.593 ' O ' ' HG2' ' A' 1921 ' ' GLN . 46.5 mtmt -61.62 -46.11 91.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.583 . . . . 1.36 111.049 -176.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -65.64 -29.25 69.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.765 -0.652 . . . . 1.91 112.038 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.457 ' HA ' ' HD3' ' A' 1919 ' ' ARG . 25.2 mmt180 -78.62 -26.48 45.28 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.695 -0.402 . . . . 2.55 110.889 177.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' 1916 ' ' ILE . 59.6 t -72.55 -30.53 34.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.248 -0.649 . . . . 0.35 109.248 173.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' 1917 ' ' LYS . 10.3 mm100 -62.34 -31.27 71.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.677 -0.692 . . . . 1.22 110.055 174.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' 1919 ' ' ARG . 17.0 mm-40 -56.73 -51.42 68.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.892 -0.595 . . . . 1.49 110.335 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.664 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 14.2 mt -69.9 -25.98 63.95 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 109.389 -0.597 . . . . 0.67 109.389 177.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1924 ' ' GLY . . . . . 0.481 ' O ' HD11 ' A' 1835 ' ' ILE . . . -56.11 -31.66 59.16 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.954 -0.641 . . . . 0.64 112.361 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -99.09 -39.25 8.6 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.938 -0.305 . . . . 0.69 110.527 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.26 -52.73 25.51 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.859 -0.686 . . . . 0.25 112.502 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 92.5 m -64.49 -34.62 78.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.788 0.328 . . . . 1.22 110.387 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1928 ' ' SER . . . . . 0.474 ' HB2' ' O ' ' A' 1924 ' ' GLY . 16.4 t -60.51 -49.97 75.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.45 0.643 . . . . 1.03 109.84 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.73 92.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.334 -0.848 . . . . 0.28 110.826 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.736 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.1 -52.25 65.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.759 -0.655 . . . . 0.28 111.004 -179.113 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 25.5 m -69.43 -32.85 54.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.425 -0.352 . . . . 0.26 111.711 -174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 12.0 t -79.03 -28.32 43.28 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.726 -0.39 . . . . 0.8 110.806 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.492 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 39.2 tptt -75.06 -32.11 61.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.906 -0.405 . . . . 1.27 109.906 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.97 69.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.874 -0.603 . . . . 0.3 110.689 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -57.21 -40.86 92.38 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.4 112.292 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -80.43 -29.81 37.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.723 0.297 . . . . 0.5 110.811 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' 1937 ' ' LEU . 2.2 tm? -70.06 -32.77 71.02 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.741 -0.466 . . . . 0.41 109.741 -177.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -77.69 -25.3 49.38 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.975 0.417 . . . . 1.06 111.166 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 21.0 t -76.52 -28.88 56.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.246 0.546 . . . . 1.43 109.627 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 25.2 m -145.9 77.24 12.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.842 -0.617 . . . . 0.8 109.882 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -65.02 -18.04 60.95 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.956 2.437 . . . . 0.69 112.678 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 44.8 t -92.85 -4.76 52.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.731 -0.668 . . . . 1.54 110.573 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -81.12 109.03 15.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.222 0.535 . . . . 1.16 110.286 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 60.7 t -66.52 -33.83 66.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.723 -0.671 . . . . 1.33 111.409 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.466 ' O ' ' HG2' ' A' 1949 ' ' GLU . 75.5 t80 -61.17 -53.04 61.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.523 -0.308 . . . . 1.91 110.715 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 40.8 m -58.19 -44.49 88.08 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.444 -0.343 . . . . 0.6 110.868 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.556 ' O ' HG13 ' A' 1951 ' ' ILE . 28.3 ttpp -61.88 -45.05 95.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 1.2 110.15 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' 1952 ' ' GLU . 32.7 ttpt -60.37 -47.57 85.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 2.67 110.603 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.492 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 56.3 mm-40 -57.58 -42.1 82.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 1.53 110.449 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.455 ' HG ' HD23 ' A' 1930 ' ' LEU . 7.8 tt -66.31 -41.58 89.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.31 110.431 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' 1947 ' ' LYS . 96.7 mt -56.93 -44.59 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.35 110.1 176.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' 1948 ' ' LYS . 7.0 mm-40 -62.34 -41.02 98.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 2.11 110.574 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.571 ' HA ' ' HE ' ' A' 1956 ' ' ARG . 73.0 m -62.17 -46.08 90.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.88 110.497 176.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.43 94.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.25 111.336 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' 1951 ' ' ILE . 82.5 mtp180 -56.87 -47.24 80.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 3.21 110.483 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' 1960 ' ' LYS . 61.7 mtm180 -60.55 -45.94 92.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.729 -0.669 . . . . 3.16 110.726 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.666 ' HB ' HG21 ' A' 1868 ' ' VAL . 63.5 t -59.05 -50.57 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.3 110.873 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 32.6 t -57.77 -35.7 71.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 1.13 110.833 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.37 -39.82 67.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 1.86 111.099 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' 1956 ' ' ARG . 28.8 mmtp -68.35 -28.14 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.428 -0.351 . . . . 0.65 111.173 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.827 HG11 ' HB2' ' A' 1865 ' ' ALA . 58.1 t -54.72 -50.03 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.953 0.406 . . . . 0.27 110.643 175.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 46.6 m -60.01 -33.04 71.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.827 -0.624 . . . . 1.3 110.909 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.411 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 65.6 m80 -71.32 -35.69 71.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 1.11 110.695 178.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' 1960 ' ' LYS . 59.7 t -66.83 -46.96 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.097 0.475 . . . . 0.35 110.095 176.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 65.9 mt -57.99 -48.19 80.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.706 -0.679 . . . . 0.35 110.284 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.19 69.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.4 111.155 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.59 -43.64 93.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.371 -0.377 . . . . 0.46 110.895 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.654 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -69.24 -49.64 54.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.5 110.651 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.04 -26.34 64.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 1.7 111.534 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.93 111.53 -179.38 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.264 0.554 . . . . 0.74 109.603 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -61.63 -41.38 97.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.538 -0.756 . . . . 0.87 110.23 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 42.4 m -60.36 -37.38 80.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.654 . . . . 0.97 111.17 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 54.9 mt -66.2 -47.17 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.943 0.401 . . . . 0.32 110.443 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 14.8 m -62.23 -43.36 98.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.94 -0.573 . . . . 0.61 110.874 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.37 -27.9 65.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.418 -0.356 . . . . 2.49 111.039 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.539 ' HB3' ' HE2' ' A' 1893 ' ' TYR . . . -67.55 -28.99 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.997 0.427 . . . . 0.34 110.702 176.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 54.5 mt -70.88 -48.8 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.421 -0.585 . . . . 0.49 109.421 171.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -59.58 -45.0 93.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.339 -0.846 . . . . 0.72 111.686 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1837 ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.4 pt20 -59.23 -34.53 72.32 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.583 0.23 . . . . 1.0 111.29 -176.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1838 ' ' LEU . . . . . 0.478 HD23 ' HG2' ' A' 1901 ' ' LYS . 35.6 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.155 0.502 . . . . 0.79 110.733 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.529 ' HE1' HD11 ' A' 1916 ' ' ILE . 73.2 t80 . . . . . 0 C--O 1.227 -0.081 0 CA-C-O 120.427 0.156 . . . . 0.68 110.731 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.5 p -63.13 -37.83 80.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.788 0.328 . . . . 0.79 111.116 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.78 -51.16 52.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.433 -0.348 . . . . 1.71 110.253 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -61.28 -43.49 98.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.07 110.798 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.655 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 47.9 tt0 -54.98 -56.95 14.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.99 111.074 178.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 26.2 m -61.37 -33.54 73.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.825 -0.625 . . . . 1.46 111.07 -177.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 29.7 m -71.54 -47.1 57.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.289 -0.414 . . . . 0.42 110.674 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 85.7 mtp -65.85 -42.32 90.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.71 112.132 -175.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.694 ' O ' ' HG3' ' A' 1862 ' ' LYS . 25.6 m -64.2 -31.06 51.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.191 -0.604 . . . . 0.29 110.85 -178.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -70.22 -48.49 56.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.921 0.391 . . . . 3.02 110.529 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 15.5 m -63.46 -33.17 74.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.911 -0.586 . . . . 0.35 110.913 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.497 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.96 -39.73 94.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.25 110.739 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.3 mttt -64.66 -34.99 79.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.021 0.439 . . . . 1.31 110.029 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.26 -44.85 90.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.757 -0.656 . . . . 0.41 111.213 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.696 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -73.59 -28.2 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.41 -0.516 . . . . 0.28 109.86 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.87 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -71.15 -42.56 68.99 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.286 -0.415 . . . . 0.2 111.473 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.454 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.7 p -69.8 -23.65 25.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.297 0.57 . . . . 0.73 110.027 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 91.9 m -74.92 -47.86 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.786 -0.643 . . . . 0.25 110.899 174.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.892 HG21 ' HB ' ' A' 1957 ' ' VAL . 5.3 p -66.95 -36.36 76.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.6 0.238 . . . . 0.28 110.905 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.454 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -68.07 -26.71 65.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.28 0.562 . . . . 0.91 109.577 176.868 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.464 ' HG3' ' HG2' ' A' 1874 ' ' LYS . 7.7 tp10 -77.3 -31.99 55.09 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.11 -0.496 . . . . 0.57 110.085 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.503 ' SD ' HD22 ' A' 1882 ' ' LEU . 7.0 mmt -52.48 -56.13 17.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.126 -0.488 . . . . 1.25 111.86 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.424 HG23 HG23 ' A' 1951 ' ' ILE . 3.4 p -55.95 -42.41 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.343 0.592 . . . . 0.59 111.082 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 52.4 m -73.62 -40.75 63.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.305 -0.861 . . . . 0.44 111.49 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.863 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -73.57 -31.78 63.79 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.626 -0.261 . . . . 1.4 111.682 -178.295 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.64 ' HB3' ' HG3' ' A' 1947 ' ' LYS . 43.1 m -60.01 -30.15 68.96 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.556 0.693 . . . . 1.11 110.138 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -81.86 -32.94 30.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.132 -0.94 . . . . 0.76 112.16 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 4.5 p -109.21 -37.12 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.234 0.828 . . . . 1.32 113.234 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1878 ' ' SER . . . . . 0.41 ' HB2' ' HD3' ' A' 1874 ' ' LYS . 75.2 m -150.08 82.49 6.46 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.412 -0.358 . . . . 1.17 110.479 -171.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.58 -20.35 69.24 Favored 'Trans proline' 0 C--N 1.34 0.095 0 C-N-CA 122.569 2.18 . . . . 0.67 112.445 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -75.76 -13.86 60.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.057 -0.52 . . . . 2.24 110.962 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' 1885 ' ' LEU . 6.3 mm-40 -80.86 -16.96 52.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.89 111.273 178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.524 HD12 HD12 ' A' 1937 ' ' LEU . 94.6 mt -65.74 -35.5 80.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.261 -0.427 . . . . 0.34 111.814 -174.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -63.14 -55.33 26.9 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.6 -0.809 . . . . 0.38 112.479 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.61 -36.1 79.67 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.871 2.38 . . . . 0.58 112.901 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.566 HD11 ' HG3' ' A' 1874 ' ' LYS . 83.8 mt -73.23 -43.64 60.85 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.591 -0.277 . . . . 0.37 110.639 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1886 ' ' ALA . . . . . 0.419 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -57.05 -32.62 66.4 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.682 -0.488 . . . . 0.36 109.682 174.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.88 -48.95 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.514 -0.766 . . . . 1.43 110.748 178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -68.49 -41.72 79.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.482 -0.326 . . . . 1.07 110.85 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.515 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.7 tp -58.95 -31.12 68.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.17 0.51 . . . . 0.25 109.99 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 47.7 m -78.6 -49.33 13.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.521 -0.763 . . . . 0.28 111.469 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 31.8 p -65.81 -50.65 63.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.384 -0.371 . . . . 1.17 111.785 -173.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.87 -33.74 76.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.171 -0.468 . . . . 0.8 111.372 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1893 ' ' TYR . . . . . 0.539 ' HE2' ' HB3' ' A' 1834 ' ' ALA . 67.2 t80 -61.15 -40.83 95.3 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.935 -0.306 . . . . 0.31 110.486 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.89 -38.12 64.1 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.06 -0.59 . . . . 0.31 112.045 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -63.96 -52.61 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.516 -0.55 . . . . 3.04 109.516 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1896 ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.86 -51.51 56.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.52 -0.764 . . . . 0.86 111.45 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1897 ' ' ALA . . . . . 0.581 ' HA ' HG11 ' A' 1920 ' ' VAL . . . -62.0 -40.55 96.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.827 -0.624 . . . . 0.49 112.046 -176.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 70.8 m -75.19 -32.84 61.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.744 0.276 . . . . 1.38 111.744 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.55 ' O ' ' HD2' ' A' 1902 ' ' PRO . 16.3 mt-30 -77.68 -24.68 49.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.666 0.269 . . . . 1.56 111.667 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1900 ' ' ALA . . . . . 0.456 ' HB3' HD21 ' A' 1838 ' ' LEU . . . -69.7 -28.59 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.34 111.559 -178.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.678 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 58.1 mtpt -61.61 -53.04 65.09 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.21 0.448 . . . . 2.27 112.21 -178.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.678 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 12.9 Cg_exo -70.29 -32.94 15.48 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 121.953 1.768 . . . . 0.6 112.123 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.15 79.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.404 -0.362 . . . . 0.39 111.12 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.83 92.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.025 -0.534 . . . . 0.46 111.049 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 44.3 t -75.5 -32.97 26.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.944 -0.571 . . . . 1.26 111.029 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -65.3 -31.17 72.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.64 111.362 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -65.78 153.9 40.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.85 111.139 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -69.02 -30.97 69.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 2.67 112.145 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.668 ' HB3' ' CG1' ' A' 1912 ' ' ILE . 43.6 t-20 -125.38 138.88 54.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.296 -0.411 . . . . 2.18 110.036 -173.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -51.39 -44.36 62.17 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.684 -0.689 . . . . 2.24 111.497 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.4 -38.88 88.48 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.046 0.451 . . . . 2.49 110.868 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.668 ' CG1' ' HB3' ' A' 1909 ' ' ASN . 15.8 mm -58.28 -40.22 76.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.69 -0.686 . . . . 0.89 109.539 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -77.12 -35.77 37.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.02 -0.61 . . . . 0.51 112.248 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.81 85.87 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.562 0.696 . . . . 0.46 110.352 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.671 ' O ' ' HG2' ' A' 1919 ' ' ARG . 26.0 t-80 -63.06 -38.2 90.25 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.871 -1.059 . . . . 1.62 110.377 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.529 HD11 ' HE1' ' A' 1850 ' ' PHE . 95.9 mt -65.23 -54.24 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.4 110.925 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -65.02 -34.52 78.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 1.36 111.232 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1918 ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' A' 1922 ' ' GLU . 17.9 t-80 -69.97 -28.64 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 1.91 110.775 -176.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.752 ' HB3' HG22 ' A' 1964 ' ' VAL . 12.8 mmm180 -63.43 -40.55 97.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 2.55 111.166 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.581 HG11 ' HA ' ' A' 1897 ' ' ALA . 24.6 t -71.43 -28.21 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.214 -0.448 . . . . 0.35 110.46 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -61.06 -40.35 93.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.206 0.527 . . . . 1.22 109.903 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.513 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 16.2 mm-40 -61.67 -42.61 99.15 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.307 -0.861 . . . . 1.49 109.943 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' 1923 ' ' LEU . 18.2 mt -64.43 -43.71 93.49 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.25 -0.886 . . . . 0.67 111.148 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.85 -44.46 55.49 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.182 -0.532 . . . . 0.64 112.979 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -65.79 -43.13 89.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.771 0.319 . . . . 0.69 110.64 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -71.45 -53.51 10.07 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.884 -0.674 . . . . 0.25 112.449 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 71.5 m -55.61 -43.41 76.07 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.311 0.244 . . . . 1.22 111.146 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 16.5 t -59.78 -49.81 76.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.739 0.304 . . . . 1.03 110.505 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.1 93.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.28 110.992 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.622 HD12 HG21 ' A' 1957 ' ' VAL . 0.4 OUTLIER -64.7 -53.34 48.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.021 -0.536 . . . . 0.28 110.667 -178.012 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1931 ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' 1886 ' ' ALA . 29.8 m -63.85 -35.19 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.26 110.632 -178.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 96.5 m -65.14 -38.4 90.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.041 -0.527 . . . . 0.8 110.778 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.522 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.0 tptt -74.21 -37.84 63.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.12 -0.491 . . . . 1.27 110.269 -178.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1934 ' ' ALA . . . . . 0.469 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -58.81 -40.21 83.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.877 -0.601 . . . . 0.3 111.107 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.53 -38.92 94.32 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.725 -0.75 . . . . 0.4 111.918 177.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -76.37 -32.81 58.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.698 0.285 . . . . 0.5 111.021 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.524 HD12 HD12 ' A' 1882 ' ' LEU . 2.9 tm? -68.54 -35.95 78.14 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.591 -0.522 . . . . 0.41 109.591 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -67.52 -26.07 66.15 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.773 -0.371 . . . . 1.06 110.984 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.9 m -76.72 -18.66 58.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.309 -0.405 . . . . 1.43 110.765 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 47.3 m -150.46 69.49 8.78 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.721 -0.474 . . . . 0.8 109.721 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.28 -15.5 49.93 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.725 2.283 . . . . 0.69 112.465 -173.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 35.7 t -90.23 -10.77 43.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.585 -0.734 . . . . 1.54 110.92 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 34.2 t70 -83.89 105.53 14.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.435 0.636 . . . . 1.16 110.744 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 4.9 m -65.87 -30.09 48.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.018 -0.992 . . . . 1.33 112.257 -177.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.34 -49.44 73.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.535 0.207 . . . . 1.91 110.905 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 29.2 m -59.69 -43.14 94.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.951 0.405 . . . . 0.6 110.407 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.64 ' HG3' ' HB3' ' A' 1875 ' ' SER . 38.9 ttpt -63.8 -41.85 97.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.575 . . . . 1.2 110.702 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' 1952 ' ' GLU . 43.8 tttm -50.91 -53.09 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 2.67 110.821 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.522 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 42.8 mt-10 -63.4 -34.92 78.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.73 -0.668 . . . . 1.53 111.129 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.406 ' HG ' HD23 ' A' 1930 ' ' LEU . 10.0 tt -69.34 -40.19 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.179 -0.304 . . . . 0.31 110.179 178.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.424 HG23 HG23 ' A' 1872 ' ' VAL . 96.1 mt -55.95 -43.26 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.318 0.58 . . . . 0.35 109.721 174.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' 1956 ' ' ARG . 40.8 mt-10 -67.74 -40.31 84.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 2.11 110.755 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' 1957 ' ' VAL . 72.9 m -59.28 -41.74 89.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.725 0.297 . . . . 0.88 110.307 175.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.17 86.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.25 110.77 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.603 ' O ' ' HG3' ' A' 1959 ' ' GLU . 96.5 mtt180 -59.98 -51.91 67.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.296 -0.411 . . . . 3.21 110.129 175.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.569 ' O ' ' HG2' ' A' 1960 ' ' LYS . 94.5 mtt180 -59.63 -34.95 73.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.598 -0.728 . . . . 3.16 111.842 -174.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.892 ' HB ' HG21 ' A' 1868 ' ' VAL . 54.1 t -70.72 -50.53 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.269 -0.271 . . . . 0.3 110.269 177.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 17.7 m -57.31 -38.29 73.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 1.13 111.361 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' 1955 ' ' ARG . 51.2 mt-10 -60.67 -31.81 71.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.268 0.556 . . . . 1.86 110.766 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' 1964 ' ' VAL . 30.2 mmtp -81.52 -38.04 26.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.246 -0.434 . . . . 0.65 110.903 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.87 HG11 ' HB2' ' A' 1865 ' ' ALA . 37.3 t -54.69 -50.45 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.305 0.378 . . . . 0.27 111.562 -176.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 15.6 m -59.36 -36.74 76.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.745 0.307 . . . . 1.3 110.944 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 36.6 m80 -70.35 -32.6 70.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.497 -0.32 . . . . 1.11 111.055 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.752 HG22 ' HB3' ' A' 1919 ' ' ARG . 59.7 t -69.87 -45.88 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 0.35 110.039 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' 1861 ' ' ALA . 70.0 mt -58.22 -47.03 84.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.35 111.067 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -58.91 -37.21 76.12 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.4 111.738 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -52.45 -55.62 20.64 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.46 111.033 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.655 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -51.46 -35.99 42.18 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.482 0.919 . . . . 0.5 113.482 -171.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.88 -21.34 57.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.694 0.283 . . . . 1.7 111.753 -176.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.358 -0.383 . . . . 0.93 110.824 178.774 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 121.254 0.549 . . . . 0.74 109.797 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.96 -32.62 74.43 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.728 -0.669 . . . . 0.87 109.888 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 68.5 m -64.26 -37.26 86.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.807 -0.633 . . . . 0.97 110.693 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' 1835 ' ' ILE . 54.5 mt -70.39 -46.28 71.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.391 -0.368 . . . . 0.32 110.132 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 25.5 m -58.99 -40.42 84.77 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.185 -0.461 . . . . 0.61 110.47 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 25.7 tm0? -60.83 -47.42 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.83 -0.623 . . . . 2.49 110.003 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1834 ' ' ALA . . . . . . . . . . . . . . . -60.57 -32.71 71.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.69 -0.686 . . . . 0.34 111.663 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1835 ' ' ILE . . . . . 0.751 ' HA ' ' NE2' ' A' 1921 ' ' GLN . 61.7 mt -65.49 -43.53 94.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.958 0.409 . . . . 0.49 110.747 178.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -78.09 -43.58 28.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.33 0.493 . . . . 0.72 112.33 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -54.52 -38.01 66.04 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.114 0.783 . . . . 1.0 113.114 -170.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1838 ' ' LEU . . . . . 0.605 HD12 ' CD ' ' A' 1921 ' ' GLN . 86.5 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 0.79 111.802 -172.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 85.5 t80 . . . . . 0 N--CA 1.468 0.442 0 CA-C-O 120.337 0.113 . . . . 0.68 111.042 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 9.9 p -58.0 -34.04 47.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.889 0.376 . . . . 0.79 110.909 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.07 -50.48 73.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.974 -0.557 . . . . 1.71 110.763 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -73.47 -32.71 64.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.335 -0.393 . . . . 1.07 110.693 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.611 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 56.9 tt0 -54.09 -53.26 55.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.081 -0.509 . . . . 0.99 111.226 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 11.5 t -68.34 -30.88 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.86 0.362 . . . . 1.46 110.964 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 17.8 m -69.88 -41.79 74.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.061 0.458 . . . . 0.42 110.716 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 73.3 mtp -68.59 -47.13 67.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.71 111.489 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.649 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -59.69 -36.99 68.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.468 -0.493 . . . . 0.29 110.968 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' 1859 ' ' ARG . 48.1 mtm105 -65.35 -45.99 81.95 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.713 0.292 . . . . 3.02 110.767 178.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.663 ' HB ' HD23 ' A' 1896 ' ' LEU . 10.0 m -69.83 -33.63 72.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.35 110.947 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.561 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.92 -45.79 90.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.25 110.415 176.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.649 ' HG3' ' O ' ' A' 1858 ' ' VAL . 58.0 mttm -61.37 -32.99 72.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 1.31 110.46 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.16 -36.47 84.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.41 111.398 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.697 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -79.76 -27.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.469 -0.493 . . . . 0.28 109.928 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.83 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.11 -40.78 74.71 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 116.115 -0.493 . . . . 0.2 111.286 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.427 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.9 p -67.73 -28.5 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.989 0.423 . . . . 0.73 110.009 176.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.603 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.9 m -69.79 -52.42 25.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.25 110.807 175.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.662 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.5 p -63.72 -36.45 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.609 0.243 . . . . 0.28 110.951 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -67.96 -26.21 65.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.144 0.497 . . . . 0.91 109.877 177.236 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' 1869 ' ' GLN . 8.1 tp10 -76.98 -38.48 53.09 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.564 -0.532 . . . . 0.57 109.564 176.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' 1867 ' ' THR . 82.1 mtp -62.16 -43.04 99.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 1.25 110.95 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 13.9 p -63.24 -39.08 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.59 110.455 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 26.1 m -71.37 -48.97 46.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.743 -0.662 . . . . 0.44 110.999 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.853 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 7.4 mmpt? -65.75 -29.08 69.54 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.233 -0.439 . . . . 1.4 111.699 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 27.8 t -61.54 -24.65 66.77 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.637 -0.425 . . . . 1.11 110.78 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -78.24 -38.95 41.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.76 111.429 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 17.1 p -108.19 -40.11 5.28 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.107 0.78 . . . . 1.32 113.107 -172.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 64.4 m -138.84 85.57 16.38 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.373 -0.376 . . . . 1.17 111.291 -170.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.87 -20.82 72.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.44 2.093 . . . . 0.67 112.064 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.84 -20.29 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 2.24 111.229 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' 1885 ' ' LEU . 16.4 mm-40 -80.87 -15.5 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.561 -0.29 . . . . 1.89 111.4 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.652 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 85.7 mt -65.31 -38.11 89.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.456 -0.338 . . . . 0.34 111.747 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.69 -54.72 31.69 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.855 -0.688 . . . . 0.38 113.018 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.08 -40.13 87.42 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.703 2.269 . . . . 0.58 112.836 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.8 mt -72.64 -40.23 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.698 -0.228 . . . . 0.37 110.913 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.79 70.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.215 0.531 . . . . 0.36 110.177 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -69.72 -40.06 76.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 1.43 110.616 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -71.04 -41.76 70.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.612 -0.722 . . . . 1.07 110.795 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.401 HD12 ' HB ' ' A' 1864 ' ' ILE . 52.6 tp -58.63 -39.42 80.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.25 109.732 175.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 51.6 m -65.75 -50.01 66.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.365 -0.834 . . . . 0.28 111.609 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 76.2 p -66.45 -49.6 66.16 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.82 0.343 . . . . 1.17 110.944 -173.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.562 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.1 m-20 -60.02 -37.91 81.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.825 -0.625 . . . . 0.8 111.351 177.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1893 ' ' TYR . . . . . 0.438 ' CE2' HG23 ' A' 1831 ' ' ILE . 74.8 t80 -61.62 -47.57 84.85 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.033 -0.267 . . . . 0.31 110.697 177.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.46 -38.76 81.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.859 -0.686 . . . . 0.31 111.898 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' 1899 ' ' GLN . 76.9 mtp180 -66.83 -50.15 63.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.02 0.438 . . . . 3.04 110.409 177.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.663 HD23 ' HB ' ' A' 1860 ' ' THR . 1.7 tm? -60.77 -38.61 85.85 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.558 -0.746 . . . . 0.86 110.707 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1897 ' ' ALA . . . . . 0.402 ' O ' HD21 ' A' 1838 ' ' LEU . . . -66.4 -32.7 74.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.49 111.286 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 51.9 m -67.52 -34.87 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 1.38 110.792 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' 1895 ' ' ARG . 66.8 mt-30 -72.83 -24.84 60.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 1.56 111.092 -175.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.51 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 0.34 112.031 -176.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.47 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 55.5 mtmt -66.51 -59.11 8.75 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.622 -0.263 . . . . 2.27 111.707 -177.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.47 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 35.5 Cg_endo -66.37 -29.58 45.66 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.657 1.571 . . . . 0.6 112.204 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.73 -45.94 87.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.88 0.371 . . . . 0.39 110.574 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.87 -38.45 82.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.701 -0.681 . . . . 0.46 111.476 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 43.8 t -75.73 -36.42 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.941 -0.572 . . . . 1.26 111.137 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -72.3 -17.43 61.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.64 112.019 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.83 166.63 15.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 0.85 110.976 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -39.06 13.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.462 -0.336 . . . . 2.67 111.269 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.456 ' HB3' HG12 ' A' 1912 ' ' ILE . 19.3 t-20 -110.12 132.84 53.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.149 -0.315 . . . . 2.18 110.149 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.93 -41.52 87.52 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.275 -0.421 . . . . 2.24 112.018 -174.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.41 -22.47 66.2 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.634 0.254 . . . . 2.49 111.158 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' 1909 ' ' ASN . 37.9 mm -73.65 -47.79 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.451 -0.574 . . . . 0.89 109.451 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -63.4 -39.96 98.34 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.782 -0.723 . . . . 0.51 111.646 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.5 87.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.037 0.446 . . . . 0.46 110.357 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.8 t-160 -64.44 -43.23 94.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.874 -0.603 . . . . 1.62 110.175 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 83.7 mt -57.91 -55.08 23.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.4 111.169 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' 1921 ' ' GLN . 20.0 ptpt -65.36 -39.4 92.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 1.36 111.405 -175.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 62.4 m170 -71.82 -29.49 64.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.887 0.329 . . . . 1.91 111.887 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.611 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 2.4 mmp_? -70.09 -31.62 69.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.715 -0.394 . . . . 2.55 110.601 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 80.8 t -64.75 -32.92 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.241 0.543 . . . . 0.35 110.345 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.751 ' NE2' ' HA ' ' A' 1835 ' ' ILE . 4.5 mm100 -70.57 -22.28 62.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.744 -0.662 . . . . 1.22 111.19 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.665 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 17.5 mm-40 -55.63 -37.72 68.56 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.135 -0.691 . . . . 1.49 109.135 169.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.707 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.9 mt -77.98 -34.96 50.64 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.839 -0.619 . . . . 0.67 109.531 174.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1924 ' ' GLY . . . . . 0.407 ' O ' HD11 ' A' 1835 ' ' ILE . . . -51.24 -34.47 32.85 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.498 -0.858 . . . . 0.64 112.078 174.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -85.18 -55.2 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.678 -0.307 . . . . 0.69 110.521 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -65.07 -49.62 61.41 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.26 -0.495 . . . . 0.25 113.698 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.707 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 89.5 m -64.49 -39.31 93.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.855 0.327 . . . . 1.22 110.806 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1928 ' ' SER . . . . . 0.49 ' HB2' HG21 ' A' 1831 ' ' ILE . 7.8 t -60.7 -43.63 97.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.22 0.533 . . . . 1.03 109.79 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.61 -43.25 80.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.509 -0.768 . . . . 0.28 110.743 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.557 HD11 HG23 ' A' 1868 ' ' VAL . 0.3 OUTLIER -58.58 -52.95 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.28 110.857 -178.523 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 18.4 m -64.38 -33.87 65.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 0.26 110.936 -177.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.3 m -68.99 -44.43 72.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.04 -0.527 . . . . 0.8 110.254 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.621 ' HE3' HG23 ' A' 1946 ' ' THR . 41.1 tptt -65.59 -39.84 92.04 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.816 -0.629 . . . . 1.27 110.654 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1934 ' ' ALA . . . . . 0.652 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -60.9 -43.41 98.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.3 110.987 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -61.35 -43.28 99.56 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.625 -0.798 . . . . 0.4 111.82 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.52 63.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.361 . . . . 0.5 111.013 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.611 HD12 HD12 ' A' 1882 ' ' LEU . 3.2 tm? -74.19 -40.57 62.41 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 109.715 -0.476 . . . . 0.41 109.715 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.416 ' O ' ' HD3' ' A' 1941 ' ' PRO . 22.3 mt-30 -65.02 -25.87 68.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.823 0.344 . . . . 1.06 111.147 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.7 m -70.11 -27.97 65.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.17 -0.468 . . . . 1.43 110.539 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 67.7 m -144.53 69.62 15.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.604 -0.517 . . . . 0.8 109.604 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' 1938 ' ' GLN . 49.6 Cg_endo -68.38 -4.08 12.18 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.939 2.426 . . . . 0.69 112.675 -173.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 42.6 t -93.38 -13.37 28.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.885 -0.598 . . . . 1.54 110.399 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.81 115.2 21.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.128 0.49 . . . . 1.16 110.574 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 45.0 t -75.79 -29.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.837 -0.619 . . . . 1.33 110.87 -176.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.527 ' O ' ' HG3' ' A' 1949 ' ' GLU . 38.3 t80 -60.63 -52.77 63.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 1.91 110.28 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.621 HG23 ' HE3' ' A' 1933 ' ' LYS . 32.8 m -60.27 -40.29 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.6 110.849 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -62.72 -46.26 88.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 1.2 110.677 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -58.1 -44.23 87.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 2.67 110.409 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' 1945 ' ' TYR . 44.0 mt-10 -59.73 -37.85 80.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.716 -0.674 . . . . 1.53 111.153 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.58 -40.66 69.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.625 -0.262 . . . . 0.31 110.942 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1951 ' ' ILE . . . . . . . . . . . . . 80.5 mt -55.41 -45.12 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.35 111.055 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' 1956 ' ' ARG . 8.6 pt-20 -72.88 -36.1 67.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.637 -0.256 . . . . 2.11 110.916 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.51 ' O ' HG23 ' A' 1957 ' ' VAL . 87.4 m -60.25 -42.76 95.98 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.619 0.247 . . . . 0.88 110.51 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.94 95.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.25 110.966 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' 1959 ' ' GLU . 78.1 mtt180 -60.39 -46.13 91.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 3.21 110.425 176.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' 1952 ' ' GLU . 50.7 mtp180 -59.77 -44.56 93.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.694 -0.685 . . . . 3.16 111.37 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.662 ' HB ' HG21 ' A' 1868 ' ' VAL . 85.7 t -62.38 -44.05 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.3 110.766 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 37.9 m -57.4 -35.78 70.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 1.13 111.212 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.8 mt-10 -70.5 -31.26 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.312 0.577 . . . . 1.86 110.683 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.665 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.2 mmtt -71.33 -37.66 71.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.01 -0.541 . . . . 0.65 110.676 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.83 HG11 ' HB2' ' A' 1865 ' ' ALA . 21.7 t -55.99 -42.23 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 O-C-N 123.411 0.445 . . . . 0.27 110.854 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 12.1 m -57.95 -37.61 74.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 1.3 110.965 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.402 ' HB3' ' HD3' ' A' 1919 ' ' ARG . 76.1 m80 -77.25 -30.71 54.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.563 . . . . 1.11 110.782 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' 1960 ' ' LYS . 60.9 t -66.24 -49.02 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.115 0.483 . . . . 0.35 109.794 175.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 61.3 mt -57.68 -48.82 78.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.457 -0.792 . . . . 0.35 110.765 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.2 68.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.876 -0.602 . . . . 0.4 111.704 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1967 ' ' ALA . . . . . 0.549 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -62.54 -30.82 71.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.474 -0.33 . . . . 0.46 111.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.611 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -70.4 -51.14 31.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.5 110.749 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -72.04 -16.85 62.05 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.968 -0.293 . . . . 1.7 110.836 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.091 -0.504 . . . . 0.93 110.719 177.315 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.281 0.562 . . . . 0.74 110.099 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.31 -44.56 96.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.568 -0.742 . . . . 0.87 110.376 175.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 16.0 t -61.57 -45.61 93.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.953 -0.567 . . . . 0.97 110.337 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.414 ' O ' HG13 ' A' 1835 ' ' ILE . 59.6 mt -59.78 -44.01 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.861 -0.609 . . . . 0.32 110.492 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1832 ' ' THR . . . . . 0.429 ' O ' ' HB ' ' A' 1835 ' ' ILE . 29.2 m -67.34 -41.99 84.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.93 -0.577 . . . . 0.61 111.109 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -62.67 -38.44 90.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.229 0.537 . . . . 2.49 110.478 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -63.19 -27.91 69.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.34 111.16 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1835 ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' 1832 ' ' THR . 75.4 mt -64.2 -43.13 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.498 . . . . 0.49 110.381 175.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -64.92 -41.95 95.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.629 -0.714 . . . . 0.72 111.754 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1837 ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' 1834 ' ' ALA . 29.2 pt20 -66.22 -34.88 79.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.873 -173.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1838 ' ' LEU . . . . . 0.594 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 97.3 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.342 . . . . 0.79 111.569 -173.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.501 ' HE1' HD11 ' A' 1916 ' ' ILE . 87.8 t80 . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.554 0.216 . . . . 0.68 111.088 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.0 p -56.29 -38.45 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.261 -0.427 . . . . 0.79 111.675 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.18 -50.5 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.684 0.278 . . . . 1.71 110.485 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.49 -36.89 83.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.244 -0.434 . . . . 1.07 110.296 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.697 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 33.4 tt0 -57.74 -53.61 56.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.887 -0.597 . . . . 0.99 110.444 175.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 32.6 m -62.08 -31.3 71.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.746 -0.661 . . . . 1.46 111.343 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1856 ' ' THR . . . . . 0.403 ' HA ' HH21 ' A' 1859 ' ' ARG . 20.2 m -78.19 -44.31 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.961 -0.296 . . . . 0.42 111.006 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 71.9 mtp -63.98 -44.29 93.15 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.16 0.43 . . . . 0.71 112.16 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.8 m -60.73 -36.03 68.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.716 -0.394 . . . . 0.29 110.954 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.403 HH21 ' HA ' ' A' 1856 ' ' THR . 61.7 mtm180 -67.0 -41.2 87.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.753 0.311 . . . . 3.02 110.828 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.523 ' HB ' HD21 ' A' 1896 ' ' LEU . 4.0 m -72.87 -36.56 67.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.289 -0.414 . . . . 0.35 110.981 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.544 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.48 -50.38 69.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 0.25 110.795 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' 1858 ' ' VAL . 54.0 mtmt -61.89 -24.68 67.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.054 0.454 . . . . 1.31 110.903 175.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1863 ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' 1866 ' ' VAL . . . -72.69 -37.98 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.41 111.29 177.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.644 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -79.43 -24.27 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.597 -0.441 . . . . 0.28 110.26 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.863 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -69.01 -32.65 72.35 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.035 -0.53 . . . . 0.2 111.659 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.443 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.8 p -74.55 -26.9 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.482 -0.487 . . . . 0.73 109.938 176.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.605 ' O ' ' HG3' ' A' 1871 ' ' MET . 46.6 m -68.8 -53.39 21.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.25 110.612 176.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.867 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.3 p -61.08 -40.51 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.674 0.273 . . . . 0.28 111.286 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.443 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.04 -25.96 67.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.213 0.53 . . . . 0.91 110.109 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' 1869 ' ' GLN . 9.2 tp10 -77.55 -40.51 42.24 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.105 -0.498 . . . . 0.57 109.974 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.605 ' HG3' ' O ' ' A' 1867 ' ' THR . 84.9 mtp -60.81 -38.33 85.05 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.352 -0.385 . . . . 1.25 111.738 -174.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.457 HG23 HG23 ' A' 1951 ' ' ILE . 7.7 p -63.3 -38.32 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.394 0.616 . . . . 0.59 110.843 178.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 54.7 m -78.96 -37.48 39.44 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.483 -0.781 . . . . 0.44 110.912 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.866 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 9.0 mmpt? -70.81 -38.03 73.27 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 116.073 -0.512 . . . . 1.4 112.205 -176.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 10.1 p -61.4 -26.94 68.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.174 0.511 . . . . 1.11 110.713 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1876 ' ' ASN . . . . . 0.404 ' HA ' ' HD2' ' A' 1947 ' ' LYS . 8.6 m120 -81.48 -25.78 35.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.594 -0.73 . . . . 0.76 111.779 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 4.5 p -108.61 -50.41 3.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.215 0.45 . . . . 1.32 112.215 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1878 ' ' SER . . . . . 0.402 ' HA ' ' HD2' ' A' 1879 ' ' PRO . 4.7 t -141.86 91.87 8.04 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.228 -0.656 . . . . 1.17 109.228 -173.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' 1878 ' ' SER . 23.9 Cg_endo -60.94 -26.05 82.5 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.829 2.352 . . . . 0.67 113.176 -175.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1880 ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' 1880 ' ' GLU . 1.0 OUTLIER -80.57 -8.52 59.62 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.78 -0.368 . . . . 2.24 111.199 -178.64 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' 1885 ' ' LEU . 28.6 mt-10 -80.83 -9.69 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 1.89 110.557 174.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.468 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 96.5 mt -69.43 -34.54 74.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.34 111.418 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1883 ' ' GLY . . . . . 0.43 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -59.0 -55.61 29.92 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 121.019 -0.61 . . . . 0.38 113.484 -178.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' 1883 ' ' GLY . 11.1 Cg_endo -57.68 -32.23 94.06 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.444 2.096 . . . . 0.58 112.574 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.663 HD11 ' HG3' ' A' 1874 ' ' LYS . 80.2 mt -76.04 -44.55 38.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.415 -0.357 . . . . 0.37 110.788 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1886 ' ' ALA . . . . . 0.511 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -56.48 -34.18 66.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.273 0.559 . . . . 0.36 109.795 174.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -70.37 -45.25 66.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.476 -0.784 . . . . 1.43 110.864 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -71.83 -36.29 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 1.07 110.759 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.53 -32.97 74.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.575 -0.528 . . . . 0.25 109.575 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 39.3 m -71.85 -51.28 23.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.533 -0.758 . . . . 0.28 111.352 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 20.2 p -63.96 -51.29 65.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 1.17 111.659 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.491 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.1 m-20 -64.42 -31.21 72.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.822 -0.626 . . . . 0.8 111.744 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1893 ' ' TYR . . . . . 0.444 ' HE2' ' HB3' ' A' 1834 ' ' ALA . 72.0 t80 -62.94 -41.43 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.825 -0.35 . . . . 0.31 110.305 175.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.04 63.69 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.014 -0.612 . . . . 0.31 112.082 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.88 -53.02 36.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.669 -0.493 . . . . 3.04 109.669 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.523 HD21 ' HB ' ' A' 1860 ' ' THR . 19.4 mt -60.39 -41.19 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.86 111.444 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1897 ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -61.39 -27.58 68.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 0.49 111.302 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 37.7 m -84.74 -40.22 17.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.355 -0.384 . . . . 1.38 110.499 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.515 ' O ' ' HD2' ' A' 1902 ' ' PRO . 65.2 mt-30 -73.71 -27.38 61.17 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.849 -0.614 . . . . 1.56 112.134 -175.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.52 -25.63 68.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.861 0.363 . . . . 0.34 111.634 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.657 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 59.6 mtmt -70.03 -55.03 8.91 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.336 -0.393 . . . . 2.27 111.844 -178.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.657 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 24.0 Cg_exo -64.05 -29.91 66.0 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.967 1.778 . . . . 0.6 112.042 175.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.83 96.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.39 110.65 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.65 98.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.601 . . . . 0.46 111.472 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 9.4 p -75.69 -26.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.868 0.365 . . . . 1.26 111.145 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -77.5 -18.23 57.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.64 110.98 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.5 143.89 51.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.025 -0.534 . . . . 0.85 110.181 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.52 -3.75 58.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.859 0.361 . . . . 2.67 111.228 -176.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.451 ' HB3' HG12 ' A' 1912 ' ' ILE . 7.2 t30 -135.78 131.62 35.72 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.922 -0.399 . . . . 2.18 109.922 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.99 -45.54 94.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.34 -0.391 . . . . 2.24 111.379 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1911 ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' 1915 ' ' HIS . 2.5 mp0 -58.69 -21.18 53.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.539 -0.301 . . . . 2.49 111.237 -178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.451 HG12 ' HB3' ' A' 1909 ' ' ASN . 43.1 mm -77.11 -48.58 24.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.763 -0.458 . . . . 0.89 109.763 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.56 -41.01 99.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.778 -0.725 . . . . 0.51 111.467 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.84 91.04 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.331 0.586 . . . . 0.46 110.457 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.584 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.4 t-160 -63.97 -46.48 84.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.424 -0.807 . . . . 1.62 110.279 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.501 HD11 ' HE1' ' A' 1850 ' ' PHE . 89.0 mt -58.55 -54.62 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.4 111.119 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.675 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.8 ptpt -61.14 -37.98 84.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 1.36 110.751 -177.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1918 ' ' HIS . . . . . 0.55 ' HA ' ' CG ' ' A' 1921 ' ' GLN . 7.3 m80 -75.46 -25.05 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.268 0.469 . . . . 1.91 112.268 -177.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.673 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 0.5 OUTLIER -74.75 -31.12 61.71 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.278 -0.569 . . . . 2.55 110.48 175.155 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 32.4 t -73.14 -23.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.62 -0.511 . . . . 0.35 109.62 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.675 ' HG2' ' O ' ' A' 1917 ' ' LYS . 12.0 mm100 -64.21 -36.89 85.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.344 0.592 . . . . 1.22 109.526 172.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' 1919 ' ' ARG . 7.7 mm-40 -59.1 -49.08 79.23 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.187 -0.915 . . . . 1.49 109.592 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.03 -41.58 96.84 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.206 -0.906 . . . . 0.67 110.537 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -52.54 -53.15 33.63 Favored Glycine 0 C--O 1.223 -0.574 0 C-N-CA 121.184 -0.531 . . . . 0.64 112.703 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -75.11 -37.17 61.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.129 0.464 . . . . 0.69 111.027 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.06 -54.13 19.06 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.933 -0.651 . . . . 0.25 112.438 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.454 ' O ' HG22 ' A' 1931 ' ' VAL . 72.0 m -61.36 -40.4 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.375 -0.231 . . . . 1.22 110.375 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 9.5 m -53.91 -52.01 61.92 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.872 0.368 . . . . 1.03 110.934 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.98 -44.22 97.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.905 -0.589 . . . . 0.28 111.043 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.538 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.46 -53.1 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.28 111.044 -177.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1931 ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' 1886 ' ' ALA . 33.3 m -66.05 -31.25 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.851 0.358 . . . . 0.26 111.0 -177.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 98.8 m -70.0 -44.01 70.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.158 0.504 . . . . 0.8 110.442 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.473 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 40.4 tptt -65.03 -40.68 95.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.776 -0.647 . . . . 1.27 110.194 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1934 ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -59.7 -41.07 89.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 0.3 111.346 176.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.81 98.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.866 -0.683 . . . . 0.4 111.934 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.15 -33.69 63.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.644 0.259 . . . . 0.5 110.917 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.08 -40.29 86.97 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.768 -0.456 . . . . 0.41 109.768 -178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.09 -25.67 68.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.758 0.313 . . . . 1.06 111.334 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 79.4 m -77.19 -15.15 59.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.356 . . . . 1.43 111.163 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 56.3 m -153.89 66.66 5.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.335 -0.617 . . . . 0.8 109.335 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.04 -14.98 48.25 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.195 2.597 . . . . 0.69 113.191 -170.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 49.0 m -87.84 -13.79 41.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.02 -0.536 . . . . 1.54 112.028 -174.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.92 117.99 20.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.123 0.487 . . . . 1.16 110.421 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 26.0 t -71.95 -34.52 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.692 -0.685 . . . . 1.33 111.32 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.402 ' O ' ' HG3' ' A' 1949 ' ' GLU . 65.4 t80 -63.27 -49.94 72.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.518 -0.31 . . . . 1.91 110.99 -177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 20.2 m -59.89 -41.86 92.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.065 0.46 . . . . 0.6 110.609 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.416 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 36.7 ttpt -65.68 -42.9 90.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.697 -0.683 . . . . 1.2 110.539 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' 1952 ' ' GLU . 4.0 ttmp? -58.59 -41.16 85.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 2.67 110.792 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.473 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 29.4 mt-10 -67.89 -34.48 76.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.42 -0.354 . . . . 1.53 111.158 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -65.9 -37.87 87.24 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.726 -0.472 . . . . 0.31 109.726 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.504 ' O ' ' HG2' ' A' 1955 ' ' ARG . 86.2 mt -55.45 -45.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.996 -0.547 . . . . 0.35 109.891 174.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' 1948 ' ' LYS . 35.9 mt-10 -65.05 -40.63 95.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 2.11 110.622 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 73.1 m -59.98 -41.14 91.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.906 0.384 . . . . 0.88 110.534 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.33 92.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.944 -0.571 . . . . 0.25 111.116 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' 1951 ' ' ILE . 28.7 mmt180 -59.31 -44.35 92.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.015 0.436 . . . . 3.21 109.929 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' 1960 ' ' LYS . 2.5 mmp_? -56.84 -50.88 71.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.418 -0.81 . . . . 3.16 110.785 -178.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.867 ' HB ' HG21 ' A' 1868 ' ' VAL . 39.8 t -61.32 -47.47 93.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.851 -0.613 . . . . 0.3 110.705 -178.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 34.4 t -56.18 -41.8 76.08 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.306 -0.406 . . . . 1.13 110.726 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' 1955 ' ' ARG . 44.5 mt-10 -62.56 -41.91 99.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.216 0.532 . . . . 1.86 110.877 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.584 ' O ' HG23 ' A' 1964 ' ' VAL . 29.9 mmtp -73.86 -32.42 63.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 0.65 111.746 -173.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.863 HG11 ' HB2' ' A' 1865 ' ' ALA . 59.0 t -56.35 -46.88 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.9 0.381 . . . . 0.27 110.523 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1962 ' ' SER . . . . . 0.409 ' HA ' HD12 ' A' 1965 ' ' LEU . 15.6 m -62.64 -31.6 72.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.064 -0.516 . . . . 1.3 110.727 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 38.9 m170 -72.02 -37.13 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 1.11 110.168 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.615 HG22 ' HB3' ' A' 1919 ' ' ARG . 48.6 t -66.52 -46.62 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.35 110.0 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' 1962 ' ' SER . 69.1 mt -55.99 -46.51 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.35 110.665 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.84 73.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.4 111.329 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.3 -28.61 69.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.46 110.864 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.697 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -71.93 -50.93 24.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.5 111.444 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -68.61 -26.4 65.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.589 -0.444 . . . . 1.7 110.57 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.93 110.988 -179.873 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 120.95 0.405 . . . . 0.74 110.555 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.98 -34.54 65.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.869 -0.605 . . . . 0.87 111.063 175.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 41.1 m -65.71 -23.88 66.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.917 -0.583 . . . . 0.97 111.688 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.475 HG13 HG23 ' A' 1890 ' ' THR . 67.4 mt -72.55 -51.32 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.059 0.457 . . . . 0.32 109.952 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 7.0 m -66.01 -37.69 86.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.843 -0.617 . . . . 0.61 110.692 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -61.34 -39.21 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.331 -0.395 . . . . 2.49 110.581 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.531 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -60.69 -35.31 75.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 0.34 111.001 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1835 ' ' ILE . . . . . 0.436 HD11 ' O ' ' A' 1924 ' ' GLY . 50.6 mt -63.61 -46.13 95.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.277 -0.42 . . . . 0.49 110.018 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -65.66 -46.84 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.654 -0.703 . . . . 0.72 111.755 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1837 ' ' GLN . . . . . 0.531 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 13.6 pt20 -63.33 -38.53 91.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.782 0.325 . . . . 1.0 111.361 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1838 ' ' LEU . . . . . 0.518 HD23 ' HG2' ' A' 1901 ' ' LYS . 30.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.522 -0.308 . . . . 0.79 110.666 177.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.534 ' HE1' HD11 ' A' 1916 ' ' ILE . 66.9 t80 . . . . . 0 C--O 1.225 -0.186 0 CA-C-O 120.507 0.194 . . . . 0.68 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -56.15 -37.04 47.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.257 -0.428 . . . . 0.79 111.909 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.88 -48.49 30.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 1.71 110.365 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -63.14 -34.36 77.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 1.07 110.559 177.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.688 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 30.9 tt0 -56.68 -57.1 13.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 0.99 110.251 174.23 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.417 ' HA ' HG22 ' A' 1858 ' ' VAL . 12.0 m -61.8 -35.31 77.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.659 -0.701 . . . . 1.46 110.751 -178.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 27.8 m -65.78 -44.5 85.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.081 0.467 . . . . 0.42 110.596 177.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1857 ' ' MET . . . . . 0.493 ' SD ' ' HB2' ' A' 1899 ' ' GLN . 67.7 mmm -68.01 -45.38 74.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.71 111.773 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.672 ' O ' ' HG3' ' A' 1862 ' ' LYS . 25.8 m -63.66 -34.39 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.699 -0.4 . . . . 0.29 111.538 -175.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -65.4 -38.65 90.59 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.939 0.399 . . . . 3.02 110.79 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.621 ' HB ' HD21 ' A' 1896 ' ' LEU . 20.4 m -75.72 -36.03 60.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.545 . . . . 0.35 110.448 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.494 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.83 -45.68 91.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 0.25 111.199 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' 1858 ' ' VAL . 86.5 mttt -59.45 -35.8 74.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 1.31 110.318 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.97 83.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.545 -0.752 . . . . 0.41 111.458 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.703 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -74.92 -25.88 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.201 -0.599 . . . . 0.28 109.879 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.82 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -71.17 -39.04 72.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.099 -0.501 . . . . 0.2 111.311 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' 1869 ' ' GLN . 14.9 p -73.28 -23.62 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.233 0.54 . . . . 0.73 109.873 175.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.584 ' O ' ' HG3' ' A' 1871 ' ' MET . 75.1 m -69.65 -52.58 24.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 0.25 110.362 174.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.832 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.1 p -61.28 -38.75 80.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 121.182 -0.207 . . . . 0.28 110.971 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' 1866 ' ' VAL . 3.4 pp0? -66.27 -29.04 69.19 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.568 -0.453 . . . . 0.91 109.922 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -75.59 -33.15 60.55 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 109.573 -0.529 . . . . 0.57 109.573 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.584 ' HG3' ' O ' ' A' 1867 ' ' THR . 80.3 mtp -66.11 -45.11 82.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.402 -0.363 . . . . 1.25 110.798 -178.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.445 ' HB ' ' CB ' ' A' 1954 ' ' ALA . 3.1 p -63.23 -42.14 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.554 0.693 . . . . 0.59 110.489 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.6 m -65.24 -46.81 79.08 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.982 -1.008 . . . . 0.44 111.303 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.671 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 8.1 mmpt? -74.74 -28.98 61.0 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 116.321 -0.4 . . . . 1.4 111.77 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.499 ' HA ' HD11 ' A' 1882 ' ' LEU . 26.7 t -59.76 -28.12 67.12 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.852 -0.53 . . . . 1.11 110.658 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -81.93 -33.31 30.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.831 -0.622 . . . . 0.76 111.755 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 10.9 p -108.36 -36.49 6.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.057 0.762 . . . . 1.32 113.057 -170.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1878 ' ' SER . . . . . 0.423 ' HB3' ' HG3' ' A' 1881 ' ' GLU . 73.2 m -148.48 88.7 5.27 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.264 -0.425 . . . . 1.17 110.743 -170.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' 1941 ' ' PRO . 10.4 Cg_exo -69.73 -22.57 32.04 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.709 2.273 . . . . 0.67 112.624 -176.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.99 -21.04 51.47 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.474 -0.49 . . . . 2.24 110.21 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' 1885 ' ' LEU . 33.7 mt-10 -79.22 -10.02 59.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 1.89 110.507 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' 1875 ' ' SER . 94.8 mt -68.52 -25.81 65.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.09 -0.505 . . . . 0.34 111.055 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1883 ' ' GLY . . . . . 0.417 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.4 -56.03 24.13 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.925 -0.655 . . . . 0.38 113.67 -176.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' 1883 ' ' GLY . 17.8 Cg_endo -62.18 -30.81 82.47 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.239 1.959 . . . . 0.58 112.243 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.9 mt -71.14 -38.56 72.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.551 -0.295 . . . . 0.37 110.447 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1886 ' ' ALA . . . . . 0.59 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -58.89 -35.07 72.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.444 0.64 . . . . 0.36 109.696 175.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 11.1 m120 -74.55 -45.83 42.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.159 -0.928 . . . . 1.43 111.6 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -67.84 -40.31 83.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.863 0.32 . . . . 1.07 111.863 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.93 -32.99 74.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.146 0.498 . . . . 0.25 109.914 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1890 ' ' THR . . . . . 0.475 HG23 HG13 ' A' 1831 ' ' ILE . 53.4 m -70.02 -47.49 61.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.469 -0.787 . . . . 0.28 111.59 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 49.4 p -70.28 -47.07 62.85 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.197 0.522 . . . . 1.17 111.571 -172.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.57 -25.76 65.06 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.637 -0.711 . . . . 0.8 111.853 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -62.93 -43.71 98.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.31 110.374 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.31 -25.26 60.07 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.22 -0.514 . . . . 0.31 112.52 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' 1899 ' ' GLN . 58.8 mtp180 -68.94 -48.77 62.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.645 -0.502 . . . . 3.04 109.645 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.621 HD21 ' HB ' ' A' 1860 ' ' THR . 49.4 mt -59.59 -42.83 93.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.86 110.465 176.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1897 ' ' ALA . . . . . 0.471 ' HA ' HG11 ' A' 1920 ' ' VAL . . . -62.01 -34.63 76.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.514 . . . . 0.49 111.436 -179.196 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.6 t -75.43 -46.09 34.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.377 -0.374 . . . . 1.38 110.445 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.493 ' HB2' ' SD ' ' A' 1857 ' ' MET . 13.9 mt-30 -71.54 -25.73 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 1.56 111.561 -175.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.24 -27.57 69.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.34 111.994 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.781 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 30.6 mtmm -66.41 -57.16 13.17 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.64 -0.255 . . . . 2.27 111.275 -176.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.781 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 17.3 Cg_exo -67.78 -29.99 34.58 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.977 1.784 . . . . 0.6 111.893 176.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.36 93.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.289 -0.414 . . . . 0.39 110.686 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1904 ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -64.39 -35.91 82.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 0.46 111.194 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 41.8 t -75.16 -41.01 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 1.26 110.711 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1906 ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -79.41 -8.0 58.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.048 -0.523 . . . . 0.64 111.277 -178.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -63.21 138.91 58.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.85 111.216 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.09 -47.09 75.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.821 -0.627 . . . . 2.67 110.878 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.698 ' HB2' HG12 ' A' 1912 ' ' ILE . 5.2 m-20 -98.23 146.33 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.129 -0.487 . . . . 2.18 111.156 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.13 -47.19 83.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 2.24 110.287 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.66 -41.78 91.35 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.333 -0.394 . . . . 2.49 110.676 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.698 HG12 ' HB2' ' A' 1909 ' ' ASN . 29.7 mm -58.22 -51.09 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.054 -0.521 . . . . 0.89 110.874 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.0 -42.1 99.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.558 -0.83 . . . . 0.51 112.103 178.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.92 92.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.135 0.493 . . . . 0.46 110.581 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.636 ' O ' ' HG2' ' A' 1919 ' ' ARG . 30.0 m-70 -66.98 -39.6 87.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.707 -0.678 . . . . 1.62 111.326 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' 1912 ' ' ILE . 92.2 mt -53.47 -51.98 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.996 0.427 . . . . 0.4 110.162 176.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.551 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.5 mtpp -55.96 -49.35 73.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.383 -0.826 . . . . 1.36 110.681 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -65.31 -34.09 77.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.958 -1.019 . . . . 1.91 112.526 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.725 ' HA ' ' HG3' ' A' 1922 ' ' GLU . 38.5 mmt180 -69.03 -36.17 77.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.004 0.431 . . . . 2.55 110.693 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.471 HG11 ' HA ' ' A' 1897 ' ' ALA . 40.3 t -70.9 -27.8 31.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.768 -0.456 . . . . 0.35 109.768 176.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' 1917 ' ' LYS . 12.9 mm100 -64.7 -36.1 83.19 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.213 -0.449 . . . . 1.22 109.87 174.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.725 ' HG3' ' HA ' ' A' 1919 ' ' ARG . 4.2 mt-10 -62.81 -49.29 75.54 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.273 -0.64 . . . . 1.49 109.273 176.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.402 HD11 HG21 ' A' 1964 ' ' VAL . 41.6 mt -59.8 -29.29 68.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.338 -0.847 . . . . 0.67 110.711 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1924 ' ' GLY . . . . . 0.436 ' O ' HD11 ' A' 1835 ' ' ILE . . . -64.35 -23.0 67.98 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.731 -0.668 . . . . 0.64 112.664 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -108.36 -19.07 13.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.961 0.41 . . . . 0.69 110.325 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1926 ' ' GLY . . . . . 0.574 ' HA2' ' HD3' ' A' 1956 ' ' ARG . . . -76.9 -58.98 3.3 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.005 -0.617 . . . . 0.25 112.001 175.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 61.9 m -61.3 -40.5 94.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 1.22 110.846 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 3.3 p -57.23 -52.24 66.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 1.03 111.09 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.42 91.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.28 111.072 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.55 HD11 HG23 ' A' 1868 ' ' VAL . 0.3 OUTLIER -63.35 -53.5 51.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.28 110.594 -178.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1931 ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' 1886 ' ' ALA . 31.7 m -66.67 -30.61 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.402 -0.363 . . . . 0.26 110.969 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 92.1 m -67.93 -45.25 74.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.8 110.19 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.497 ' HE2' ' CB ' ' A' 1949 ' ' GLU . 29.6 tptt -66.48 -37.28 84.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.89 -0.596 . . . . 1.27 110.568 -177.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.14 81.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.221 -0.445 . . . . 0.3 111.095 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -62.85 -38.23 96.2 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.592 -0.814 . . . . 0.4 111.732 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.16 -34.85 61.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.793 0.33 . . . . 0.5 111.024 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' 1937 ' ' LEU . 3.0 tm? -67.96 -33.96 75.66 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.742 -0.466 . . . . 0.41 109.742 -178.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -68.6 -25.68 64.99 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.998 0.428 . . . . 1.06 110.978 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 67.8 m -77.57 -13.04 60.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.983 -0.553 . . . . 1.43 110.642 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 49.4 m -151.46 64.66 6.13 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.311 -0.626 . . . . 0.8 109.311 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.4 ' HB2' ' HG2' ' A' 1879 ' ' PRO . 56.0 Cg_endo -71.13 10.67 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.949 2.433 . . . . 0.69 113.717 -171.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 23.1 t -123.31 4.51 9.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.287 0.565 . . . . 1.54 109.846 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -86.52 131.97 34.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.0 -0.545 . . . . 1.16 110.398 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 42.3 t -79.99 -41.26 21.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.057 -0.52 . . . . 1.33 110.543 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 48.3 t80 -59.27 -54.39 47.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.154 -0.476 . . . . 1.91 111.323 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.418 HG23 ' HE3' ' A' 1933 ' ' LYS . 15.6 m -61.22 -41.01 96.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 0.6 111.064 -178.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.493 ' O ' HG13 ' A' 1951 ' ' ILE . 6.6 ttpm? -66.72 -42.32 86.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 1.2 110.499 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' 1948 ' ' LYS . 39.2 ttmt -59.42 -41.91 90.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 2.67 110.073 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.497 ' CB ' ' HE2' ' A' 1933 ' ' LYS . 47.0 mt-10 -63.71 -40.42 96.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.037 -0.528 . . . . 1.53 110.59 176.319 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.5 tt -64.23 -40.06 95.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.442 -0.344 . . . . 0.31 110.394 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' 1947 ' ' LYS . 78.6 mt -59.57 -41.75 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.942 -0.392 . . . . 0.35 109.942 176.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.41 -43.58 98.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.143 -0.481 . . . . 2.11 110.313 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.615 ' O ' HG23 ' A' 1957 ' ' VAL . 82.3 m -60.79 -42.75 98.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.565 . . . . 0.88 110.88 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1954 ' ' ALA . . . . . 0.445 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -62.53 -46.79 86.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.25 110.778 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.53 ' O ' ' HG3' ' A' 1959 ' ' GLU . 98.9 mtt180 -60.68 -33.13 72.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.02 -0.536 . . . . 3.21 110.452 178.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' 1960 ' ' LYS . 0.0 OUTLIER -66.89 -33.25 75.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.886 -0.597 . . . . 3.16 110.504 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.832 ' HB ' HG21 ' A' 1868 ' ' VAL . 37.9 t -77.48 -45.86 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.3 110.561 -178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 69.5 m -54.77 -37.91 66.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.97 -0.559 . . . . 1.13 111.403 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' 1955 ' ' ARG . 60.3 mt-10 -68.81 -33.05 73.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.42 . . . . 1.86 110.702 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.2 mmtt -74.3 -39.04 63.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.145 -0.479 . . . . 0.65 110.634 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.82 HG11 ' HB2' ' A' 1865 ' ' ALA . 40.1 t -56.75 -44.97 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.85 0.357 . . . . 0.27 110.637 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 17.0 m -60.64 -34.89 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.023 -0.535 . . . . 1.3 110.665 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.602 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 37.4 m80 -74.52 -35.55 63.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.11 111.34 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.632 HG22 ' HB3' ' A' 1919 ' ' ARG . 78.2 t -61.8 -51.13 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.642 -0.503 . . . . 0.35 109.642 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' 1861 ' ' ALA . 69.3 mt -58.9 -40.25 83.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.586 -0.734 . . . . 0.35 110.635 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.11 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.608 . . . . 0.4 111.491 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.19 90.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.46 110.614 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.688 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.3 mm? -70.45 -55.15 9.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.846 -0.615 . . . . 0.5 110.939 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -66.22 -18.27 65.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.97 -0.559 . . . . 1.7 112.14 -174.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 116.683 -0.235 . . . . 0.93 110.824 178.153 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.748 0.308 . . . . 0.74 111.325 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.28 -45.98 68.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.935 0.398 . . . . 0.87 110.173 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 34.6 m -61.05 -39.51 90.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.97 110.832 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.95 -49.65 83.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 121.054 0.454 . . . . 0.32 110.449 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 25.4 m -63.84 -39.01 93.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.61 111.162 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -65.82 -36.35 83.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.709 0.29 . . . . 2.49 110.551 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.604 ' O ' ' HG ' ' A' 1838 ' ' LEU . . . -62.04 -40.32 95.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.34 110.278 176.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.74 -54.12 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.49 110.568 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -59.16 -54.26 48.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.54 -0.754 . . . . 0.72 111.907 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -59.19 -30.61 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.146 0.424 . . . . 1.0 112.146 -172.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1838 ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' 1834 ' ' ALA . 92.7 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.088 0.471 . . . . 0.79 110.905 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.54 ' HE1' HD11 ' A' 1916 ' ' ILE . 83.9 t80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.011 0.434 . . . . 0.68 110.737 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.1 p -64.89 -36.63 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.79 110.939 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.77 -50.69 65.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.083 0.468 . . . . 1.71 110.635 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1853 ' ' TYR . . . . . 0.436 ' HD1' ' HB3' ' A' 1899 ' ' GLN . 57.7 m-85 -65.48 -33.88 76.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.863 -0.608 . . . . 1.07 111.041 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.61 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 48.9 tt0 -61.13 -53.17 60.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.423 -0.353 . . . . 0.99 110.507 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 6.9 p -60.1 -28.68 68.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.426 -0.352 . . . . 1.46 111.807 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 51.1 m -78.16 -51.35 10.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.748 0.308 . . . . 0.42 111.032 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.3 mtp -62.04 -39.82 93.64 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.284 0.476 . . . . 0.71 112.284 -174.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.682 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.6 m -62.26 -32.82 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.598 -0.441 . . . . 0.29 111.011 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -72.15 -49.45 35.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.926 0.394 . . . . 3.02 110.488 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.528 ' HB ' HD21 ' A' 1896 ' ' LEU . 19.3 m -65.05 -33.33 75.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 0.35 110.881 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.52 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.56 -45.04 94.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.478 -0.328 . . . . 0.25 110.507 176.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.682 ' HG3' ' O ' ' A' 1858 ' ' VAL . 62.1 mttm -58.81 -36.71 74.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.446 -0.343 . . . . 1.31 110.439 175.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.94 -49.51 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 0.41 111.264 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.695 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -67.43 -25.4 33.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.952 0.406 . . . . 0.28 110.202 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.71 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -67.75 -28.87 67.99 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.016 -0.538 . . . . 0.2 110.751 176.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' 1862 ' ' LYS . 58.4 t -73.27 -35.03 45.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.106 0.479 . . . . 0.73 109.718 175.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 20.6 m -66.89 -45.62 77.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.25 110.972 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.803 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.8 p -65.74 -35.69 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.713 0.292 . . . . 0.28 110.812 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -71.75 -26.96 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.91 109.817 178.321 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' 1869 ' ' GLN . 4.0 tp10 -73.09 -34.83 66.44 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.566 -0.531 . . . . 0.57 109.566 176.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.53 ' SD ' HD22 ' A' 1882 ' ' LEU . 3.7 mmt -55.77 -53.49 56.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.843 -0.617 . . . . 1.25 111.592 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 9.3 p -60.5 -39.42 81.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.255 0.55 . . . . 0.59 111.001 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 47.7 m -72.09 -43.03 65.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.615 -0.72 . . . . 0.44 111.358 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.799 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 10.0 mmpt? -73.83 -33.75 64.28 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 111.596 0.221 . . . . 1.4 111.596 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 23.6 t -60.57 -30.28 69.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.2 0.524 . . . . 1.11 110.076 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -81.55 -23.83 36.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 0.76 111.833 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1877 ' ' THR . . . . . 0.438 ' OG1' ' HA ' ' A' 1874 ' ' LYS . 7.8 p -109.4 -44.93 3.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.171 0.804 . . . . 1.32 113.171 -172.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1878 ' ' SER . . . . . 0.433 ' HA ' ' HD2' ' A' 1879 ' ' PRO . 6.7 t -152.57 101.77 2.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.761 -0.459 . . . . 1.17 109.761 -174.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' 1878 ' ' SER . 29.1 Cg_endo -63.13 -29.4 74.39 Favored 'Trans proline' 0 N--CA 1.467 -0.079 0 C-N-CA 122.929 2.419 . . . . 0.67 113.046 -175.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.04 -23.57 62.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.663 0.268 . . . . 2.24 111.275 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.751 ' O ' ' HG ' ' A' 1885 ' ' LEU . 35.6 mm-40 -71.96 -12.62 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 1.89 110.72 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.53 HD22 ' SD ' ' A' 1871 ' ' MET . 84.8 mt -72.3 -19.7 61.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.4 -0.363 . . . . 0.34 110.729 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1883 ' ' GLY . . . . . 0.403 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -66.77 -55.59 16.55 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.831 -0.699 . . . . 0.38 112.836 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' 1883 ' ' GLY . 10.2 Cg_endo -58.13 -37.59 94.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.276 1.984 . . . . 0.58 112.303 174.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' 1881 ' ' GLU . 25.1 mt -67.17 -40.95 86.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.781 0.324 . . . . 0.37 110.496 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1886 ' ' ALA . . . . . 0.596 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.66 -30.2 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.365 0.602 . . . . 0.36 110.196 177.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -73.54 -52.37 13.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.293 -0.867 . . . . 1.43 110.751 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.14 -45.12 93.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.05 -0.523 . . . . 1.07 112.109 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.15 -27.57 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.226 0.536 . . . . 0.25 110.383 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 49.2 m -81.07 -46.55 14.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.414 -0.812 . . . . 0.28 111.417 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 78.1 p -66.29 -51.09 60.88 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.929 0.395 . . . . 1.17 111.058 -172.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.502 ' HA ' ' HB3' ' A' 1895 ' ' ARG . 2.5 m-20 -66.34 -25.47 66.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.914 -0.585 . . . . 0.8 111.778 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 42.1 t80 -68.46 -43.51 76.85 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.659 -0.416 . . . . 0.31 110.254 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -70.3 -29.43 70.22 Favored Glycine 0 CA--C 1.504 -0.639 0 N-CA-C 109.771 -1.332 . . . . 0.31 109.771 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.502 ' HB3' ' HA ' ' A' 1892 ' ' ASP . 39.4 ttt180 -62.36 -49.11 76.84 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 113.967 -1.116 . . . . 3.04 110.126 171.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.528 HD21 ' HB ' ' A' 1860 ' ' THR . 10.5 mt -57.96 -47.21 83.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.44 -0.345 . . . . 0.86 111.03 176.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -58.06 -25.71 61.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.753 -0.658 . . . . 0.49 111.795 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 10.1 t -66.59 -45.31 79.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.628 -0.26 . . . . 1.38 110.433 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.499 ' O ' ' HD2' ' A' 1902 ' ' PRO . 18.4 mp0 -77.6 -24.59 49.61 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.452 0.168 . . . . 1.56 111.452 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.96 79.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.693 0.283 . . . . 0.34 111.532 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.889 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 7.9 mtpm? -60.52 -58.84 16.39 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.339 -0.391 . . . . 2.27 111.486 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.889 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 22.6 Cg_exo -65.87 -32.13 46.25 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.202 1.934 . . . . 0.6 112.641 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.44 93.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.368 . . . . 0.39 110.952 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -67.52 -43.84 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.46 111.492 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' 1902 ' ' PRO . 11.1 p -76.42 -31.54 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 116.303 -0.408 . . . . 1.26 111.561 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -80.26 -8.56 59.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.009 0.433 . . . . 0.64 110.57 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.1 143.37 52.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.7 -0.682 . . . . 0.85 110.422 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.11 -52.22 13.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.075 -0.512 . . . . 2.67 110.779 -177.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.575 ' HB2' HG12 ' A' 1912 ' ' ILE . 2.8 m-20 -86.31 138.28 31.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.154 -0.475 . . . . 2.18 110.356 178.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.59 -40.8 97.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.087 -0.506 . . . . 2.24 110.24 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1911 ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' 1911 ' ' GLU . 1.9 mp0 -63.17 -33.64 75.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.908 -0.587 . . . . 2.49 110.864 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.575 HG12 ' HB2' ' A' 1909 ' ' ASN . 34.3 mm -68.13 -47.73 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.41 . . . . 0.89 110.286 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.69 -41.36 99.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.619 -0.8 . . . . 0.51 111.525 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1914 ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' 1917 ' ' LYS . . . -61.79 -37.63 85.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.121 0.486 . . . . 0.46 110.77 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.8 t-160 -66.04 -40.36 90.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.726 -0.67 . . . . 1.62 110.534 -177.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.54 HD11 ' HE1' ' A' 1850 ' ' PHE . 94.0 mt -63.54 -54.9 26.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.4 110.975 178.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.694 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.1 ptmt -61.66 -34.43 75.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 1.36 110.889 -175.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -71.86 -29.63 64.58 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.807 0.299 . . . . 1.91 111.807 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.808 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 28.7 mmt180 -76.61 -31.82 57.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.882 0.373 . . . . 2.55 110.644 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1916 ' ' ILE . 21.3 t -71.54 -25.55 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.504 -0.554 . . . . 0.35 109.504 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.694 ' HG2' ' O ' ' A' 1917 ' ' LYS . 12.0 mm100 -63.34 -38.59 91.74 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.212 -0.662 . . . . 1.22 109.212 172.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.902 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 4.6 mt-10 -60.16 -51.62 68.8 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.518 -0.765 . . . . 1.49 109.757 176.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.17 -38.38 70.82 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.559 -0.746 . . . . 0.67 110.299 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1924 ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -56.33 -52.18 51.43 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.842 -0.694 . . . . 0.64 112.168 177.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -71.5 -38.45 71.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.684 0.278 . . . . 0.69 110.948 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.45 -56.4 10.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.082 -0.58 . . . . 0.25 112.642 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 73.5 m -60.33 -37.96 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 1.22 110.438 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1928 ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' 1924 ' ' GLY . 15.1 t -59.81 -52.21 66.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.196 -0.457 . . . . 1.03 110.261 176.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.25 93.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.28 110.818 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.582 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.21 -53.07 62.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.76 -0.654 . . . . 0.28 110.715 -178.716 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1931 ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' 1886 ' ' ALA . 30.9 m -67.32 -33.47 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.953 -0.299 . . . . 0.26 111.083 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.1 m -61.7 -46.67 88.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.028 0.442 . . . . 0.8 110.156 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.65 -36.59 84.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.826 -0.625 . . . . 1.27 111.001 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1934 ' ' ALA . . . . . 0.62 ' O ' ' HG3' ' A' 1938 ' ' GLN . . . -59.74 -47.15 86.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.56 0.219 . . . . 0.3 110.822 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.21 -43.8 96.9 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.628 -0.796 . . . . 0.4 111.976 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.39 74.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.5 111.084 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' 1937 ' ' LEU . 2.7 tm? -73.78 -27.75 61.3 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.697 -0.483 . . . . 0.41 109.697 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1938 ' ' GLN . . . . . 0.62 ' HG3' ' O ' ' A' 1934 ' ' ALA . 46.1 mt-30 -77.39 -26.5 51.83 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.212 0.53 . . . . 1.06 110.389 176.284 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 50.6 t -73.82 -35.98 64.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.439 -0.8 . . . . 1.43 109.475 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 19.7 m -133.55 72.23 74.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.8 110.011 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.1 -11.43 32.21 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.73 2.287 . . . . 0.69 112.378 -174.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 41.7 t -97.4 -5.38 36.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.31 -0.859 . . . . 1.54 110.963 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.44 114.51 22.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 1.16 110.652 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 52.0 t -67.74 -32.18 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.772 -0.649 . . . . 1.33 110.613 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.437 ' O ' ' HG2' ' A' 1949 ' ' GLU . 66.1 t80 -59.02 -57.1 14.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 1.91 110.987 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.443 ' HB ' HD23 ' A' 1937 ' ' LEU . 19.4 m -61.66 -37.97 86.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.823 0.344 . . . . 0.6 111.065 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' 1951 ' ' ILE . 39.5 ttpt -63.6 -44.85 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 1.2 110.053 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' 1948 ' ' LYS . 17.4 ttpp -59.5 -45.21 92.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.99 -0.55 . . . . 2.67 110.29 175.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' 1945 ' ' TYR . 46.3 mm-40 -54.81 -45.71 74.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.746 -0.661 . . . . 1.53 110.583 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.501 ' HG ' HD23 ' A' 1930 ' ' LEU . 9.5 tt -66.48 -40.68 89.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.297 -0.41 . . . . 0.31 110.86 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' 1947 ' ' LYS . 81.4 mt -57.24 -42.06 79.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.175 0.512 . . . . 0.35 110.115 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.634 ' O ' ' HG3' ' A' 1956 ' ' ARG . 82.8 mt-10 -72.73 -35.92 67.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.736 . . . . 2.11 110.639 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.417 ' O ' HG23 ' A' 1957 ' ' VAL . 90.6 m -63.89 -36.7 84.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.88 110.579 176.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.21 76.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.25 111.287 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' 1952 ' ' GLU . 39.5 ptt180 -65.41 -27.17 68.35 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.706 -0.398 . . . . 3.21 110.546 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.634 ' HG3' ' O ' ' A' 1952 ' ' GLU . 57.7 mtt180 -60.42 -56.8 17.03 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.983 0.42 . . . . 3.16 109.912 174.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.803 ' HB ' HG21 ' A' 1868 ' ' VAL . 38.0 t -60.46 -39.2 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.3 110.862 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 18.4 m -57.02 -35.43 69.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 1.13 111.169 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' 1955 ' ' ARG . 58.6 mt-10 -76.17 -36.7 58.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.459 . . . . 1.86 110.6 177.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.902 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.3 mmtt -65.55 -36.81 84.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.756 -0.656 . . . . 0.65 110.574 -177.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' 1865 ' ' ALA . 60.5 t -56.57 -50.31 73.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.094 0.474 . . . . 0.27 110.445 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 9.0 t -61.34 -35.6 77.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.44 -0.8 . . . . 1.3 110.223 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.808 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 19.1 m170 -62.79 -46.96 85.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 1.11 111.077 177.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' 1960 ' ' LYS . 61.0 t -61.82 -48.64 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.35 110.422 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' 1861 ' ' ALA . 91.3 mt -54.79 -49.66 70.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.35 110.736 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.36 75.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 0.4 111.393 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.23 90.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.799 0.333 . . . . 0.46 110.878 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.61 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -68.34 -46.61 69.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.49 . . . . 0.5 110.72 177.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -68.3 -20.76 64.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 1.7 111.277 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 CA-C-O 121.185 0.517 . . . . 0.93 110.606 177.305 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 120.922 0.391 . . . . 0.74 110.703 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.63 -36.25 83.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 0.87 110.346 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 72.5 m -59.8 -29.47 68.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.84 -0.618 . . . . 0.97 110.804 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.451 HG23 ' CE2' ' A' 1893 ' ' TYR . 68.1 mt -70.68 -47.85 61.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.212 -0.449 . . . . 0.32 110.358 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 17.2 m -68.1 -40.66 82.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.61 111.051 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -65.89 -31.78 72.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.658 0.266 . . . . 2.49 110.648 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.501 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -63.53 -27.95 69.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.064 0.459 . . . . 0.34 110.728 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.67 -54.6 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.822 -0.627 . . . . 0.49 109.959 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -65.6 -36.61 84.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.41 -0.814 . . . . 0.72 112.091 -174.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1837 ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' 1834 ' ' ALA . 26.1 pt20 -59.25 -33.96 71.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.633 0.254 . . . . 1.0 111.433 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.48 -0.327 . . . . 0.79 111.235 -176.12 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.5 ' HE1' HD11 ' A' 1916 ' ' ILE . 54.5 t80 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.739 0.304 . . . . 0.68 110.346 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.3 p -59.28 -33.12 49.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.181 -0.463 . . . . 0.79 111.509 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.73 -50.53 35.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.038 0.447 . . . . 1.71 110.551 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.4 -34.35 77.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 1.07 110.347 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.702 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.8 tt0 -55.54 -57.23 12.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.99 110.243 173.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 27.4 m -57.57 -37.14 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 1.46 111.091 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 29.8 m -72.79 -52.17 16.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.142 -0.481 . . . . 0.42 111.262 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.3 mtp -64.61 -38.44 91.01 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.32 0.489 . . . . 0.71 112.32 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.663 ' O ' ' HG2' ' A' 1862 ' ' LYS . 31.0 m -62.65 -35.71 71.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.183 -0.607 . . . . 0.29 110.733 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -71.42 -38.88 71.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.984 0.421 . . . . 3.02 110.733 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.661 ' HB ' HD21 ' A' 1896 ' ' LEU . 6.1 m -69.13 -36.09 77.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.18 -0.463 . . . . 0.35 110.495 179.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.602 ' HB3' HD21 ' A' 1965 ' ' LEU . . . -63.64 -36.1 82.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.25 110.976 177.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' 1858 ' ' VAL . 68.9 mmtt -58.99 -40.8 85.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.235 0.54 . . . . 1.31 110.148 176.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.81 81.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.349 -0.842 . . . . 0.41 111.616 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.755 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -79.11 -31.42 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.304 -0.558 . . . . 0.28 110.014 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.887 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.77 -41.4 71.75 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.47 -0.332 . . . . 0.2 111.434 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.403 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.2 p -66.17 -28.83 44.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 0.73 109.953 176.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 87.4 m -73.39 -46.86 46.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.25 111.174 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.814 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.3 p -67.96 -31.43 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.28 110.785 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.59 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -74.52 -26.99 60.34 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.358 -0.608 . . . . 0.91 109.358 176.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.496 ' HG3' ' CG ' ' A' 1874 ' ' LYS . 6.3 tp10 -74.6 -28.34 60.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.038 -0.528 . . . . 0.57 110.08 178.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.542 ' SD ' HD22 ' A' 1882 ' ' LEU . 8.3 mmt -55.62 -45.39 77.56 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.873 -0.603 . . . . 1.25 111.523 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.596 HG23 HG23 ' A' 1951 ' ' ILE . 9.7 p -65.04 -32.03 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.459 0.647 . . . . 0.59 110.778 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1873 ' ' THR . . . . . 0.51 ' O ' HG22 ' A' 1877 ' ' THR . 88.4 m -80.17 -54.99 5.24 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.351 -0.84 . . . . 0.44 110.661 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.812 ' HG3' HD11 ' A' 1885 ' ' LEU . 8.9 mmpt? -59.33 -40.47 86.43 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.167 -0.47 . . . . 1.4 111.493 -177.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 9.6 t -59.56 -24.9 64.1 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.122 0.487 . . . . 1.11 110.875 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -82.03 -43.16 18.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.605 . . . . 0.76 112.141 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1877 ' ' THR . . . . . 0.51 HG22 ' O ' ' A' 1873 ' ' THR . 1.5 t -108.81 -25.1 10.97 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.395 0.887 . . . . 1.32 113.395 -169.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 22.7 m -158.06 76.44 3.67 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.109 -0.33 . . . . 1.17 110.109 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.14 -17.66 59.42 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.73 2.287 . . . . 0.67 112.886 -175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.17 -17.91 61.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.832 0.349 . . . . 2.24 111.178 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.582 ' O ' ' HG ' ' A' 1885 ' ' LEU . 22.6 mt-10 -81.77 -9.77 59.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 1.89 110.922 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.542 HD22 ' SD ' ' A' 1871 ' ' MET . 95.0 mt -67.27 -34.04 76.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.34 111.197 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -59.63 -54.45 37.61 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 121.172 -0.537 . . . . 0.38 112.841 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.87 -39.14 78.99 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.863 2.376 . . . . 0.58 112.489 172.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.812 HD11 ' HG3' ' A' 1874 ' ' LYS . 77.9 mt -68.74 -45.24 71.99 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.467 -0.333 . . . . 0.37 110.589 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.07 -31.14 64.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.115 -0.493 . . . . 0.36 109.777 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -72.98 -49.92 26.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.713 -0.676 . . . . 1.43 110.758 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.57 -42.2 92.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.506 -0.316 . . . . 1.07 110.704 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.501 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.9 tp -55.21 -44.4 75.35 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.697 -0.483 . . . . 0.25 109.697 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 43.2 m -62.49 -48.8 77.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.406 -0.816 . . . . 0.28 111.013 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 8.5 t -64.31 -51.68 62.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.541 -0.754 . . . . 1.17 111.508 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.453 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 5.0 m-20 -67.2 -34.97 78.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.596 -0.274 . . . . 0.8 111.374 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1893 ' ' TYR . . . . . 0.451 ' CE2' HG23 ' A' 1831 ' ' ILE . 67.3 t80 -63.2 -44.12 96.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.31 110.429 176.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.22 -35.48 78.14 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.983 -0.627 . . . . 0.31 111.854 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.453 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 91.0 mtt180 -66.83 -49.82 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.0 -0.37 . . . . 3.04 110.0 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.661 HD21 ' HB ' ' A' 1860 ' ' THR . 20.0 mt -57.07 -44.14 82.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.114 -0.494 . . . . 0.86 111.568 177.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1897 ' ' ALA . . . . . 0.501 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -60.43 -31.11 70.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.995 -0.548 . . . . 0.49 111.522 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 23.2 t -74.87 -47.89 27.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.89 0.376 . . . . 1.38 110.152 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.442 ' O ' ' HD2' ' A' 1902 ' ' PRO . 71.0 mt-30 -66.31 -24.93 66.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 1.56 111.528 -176.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.37 -29.71 70.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.34 111.894 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.843 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 99.3 mttt -65.06 -60.05 8.79 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.794 -0.184 . . . . 2.27 111.312 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.843 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 25.5 Cg_exo -63.92 -31.57 66.95 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.858 1.705 . . . . 0.6 111.945 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.55 96.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.771 0.319 . . . . 0.39 110.8 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1904 ' ' ALA . . . . . 0.443 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -63.63 -41.17 98.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.46 111.001 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 45.4 t -75.52 -34.69 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.05 -0.523 . . . . 1.26 111.07 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1906 ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -81.22 -12.07 59.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 0.64 111.775 -177.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1907 ' ' ALA . . . . . 0.456 ' HA ' ' CD1' ' A' 1850 ' ' PHE . . . -57.46 141.76 46.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 0.85 111.42 -177.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -64.26 -25.31 68.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 2.67 110.738 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.505 ' HB3' HG12 ' A' 1912 ' ' ILE . 40.8 t30 -131.45 134.65 46.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.638 -0.71 . . . . 2.18 109.229 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.4 -44.8 95.33 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.669 0.271 . . . . 2.24 111.479 -174.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.85 -26.75 67.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 2.49 111.114 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.505 HG12 ' HB3' ' A' 1909 ' ' ASN . 43.0 mm -69.49 -40.5 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.754 -0.462 . . . . 0.89 109.754 175.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -62.2 -44.09 98.2 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.83 -0.7 . . . . 0.51 111.458 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.99 93.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.273 0.559 . . . . 0.46 110.141 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.3 t-160 -61.72 -41.03 97.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.321 -0.854 . . . . 1.62 110.346 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.5 HD11 ' HE1' ' A' 1850 ' ' PHE . 85.0 mt -63.78 -54.97 25.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.4 111.3 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' 1921 ' ' GLN . 12.2 ptmm? -64.44 -31.44 72.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 1.36 111.14 -174.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -73.52 -26.94 61.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.472 -0.331 . . . . 1.91 110.518 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.729 ' HB3' HG22 ' A' 1964 ' ' VAL . 28.4 mmt180 -74.97 -30.24 61.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.798 0.332 . . . . 2.55 110.86 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.403 HG11 ' HA ' ' A' 1897 ' ' ALA . 42.4 t -69.18 -30.56 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.514 -0.55 . . . . 0.35 109.514 174.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' 1917 ' ' LYS . 9.1 mm100 -63.61 -41.18 98.33 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.373 -0.603 . . . . 1.22 109.373 174.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.976 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 38.2 mm-40 -55.11 -49.29 72.1 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.045 -0.98 . . . . 1.49 110.156 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' 1923 ' ' LEU . 13.1 mt -62.94 -42.43 99.81 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.349 -0.841 . . . . 0.67 111.229 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.84 -51.6 38.71 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.032 -0.604 . . . . 0.64 112.621 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -60.43 -37.31 80.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.779 0.323 . . . . 0.69 111.213 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1926 ' ' GLY . . . . . 0.603 ' HA3' HG22 ' A' 1957 ' ' VAL . . . -76.49 -52.42 6.04 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.69 -0.767 . . . . 0.25 112.476 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 85.8 m -58.0 -43.98 86.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 122.302 0.241 . . . . 1.22 111.62 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 16.4 m -56.1 -46.15 79.18 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.111 0.481 . . . . 1.03 110.786 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.29 72.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 0.28 111.188 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.663 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.56 -51.29 69.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.928 -0.578 . . . . 0.28 111.133 -176.617 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 28.6 m -65.76 -32.35 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.26 110.716 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 68.3 m -69.97 -39.5 75.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 0.8 110.793 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.503 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 34.7 tptt -70.65 -39.34 73.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.291 -0.413 . . . . 1.27 110.489 -178.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.44 89.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.3 111.466 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.32 -37.43 91.91 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.797 -0.716 . . . . 0.4 112.103 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -80.47 -27.35 37.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.856 0.36 . . . . 0.5 110.869 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.475 HD12 HD12 ' A' 1882 ' ' LEU . 2.8 tm? -73.87 -36.05 64.79 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 116.256 -0.429 . . . . 0.41 110.065 -177.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.72 -26.08 67.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.143 0.497 . . . . 1.06 110.888 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 65.5 m -77.39 -18.89 56.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.79 -0.641 . . . . 1.43 110.458 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 7.1 m -141.51 59.76 10.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.8 109.686 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.77 7.48 2.75 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.701 2.267 . . . . 0.69 113.973 -169.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 25.0 t -119.99 -0.65 10.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.227 0.536 . . . . 1.54 109.874 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -78.93 140.12 38.13 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.923 -0.58 . . . . 1.16 110.682 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 16.9 m -85.2 -41.7 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.208 -0.451 . . . . 1.33 112.024 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.64 -48.22 75.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 1.91 111.197 -175.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 14.0 m -65.07 -40.28 94.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.073 -0.512 . . . . 0.6 110.881 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -67.02 -41.84 85.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 1.2 110.42 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -51.8 -48.4 63.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.671 -0.695 . . . . 2.67 111.006 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.503 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 31.4 mt-10 -65.54 -35.6 81.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.925 -0.58 . . . . 1.53 111.638 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.0 tt -68.92 -36.87 78.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.908 -0.404 . . . . 0.31 109.908 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.596 HG23 HG23 ' A' 1872 ' ' VAL . 96.7 mt -60.9 -43.41 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.06 0.457 . . . . 0.35 109.807 173.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.538 ' O ' ' HG3' ' A' 1956 ' ' ARG . 9.3 mm-40 -60.81 -50.47 73.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.69 -0.686 . . . . 2.11 110.378 176.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.576 ' O ' HG23 ' A' 1957 ' ' VAL . 33.8 t -59.88 -41.23 91.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.07 -0.514 . . . . 0.88 110.744 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.37 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.25 111.568 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' 1959 ' ' GLU . 35.7 ptt85 -69.74 -24.6 63.56 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.661 -0.416 . . . . 3.21 110.799 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' 1952 ' ' GLU . 85.6 mtt180 -75.54 -41.67 54.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.526 -0.306 . . . . 3.16 111.165 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.814 ' HB ' HG21 ' A' 1868 ' ' VAL . 88.0 t -64.91 -40.48 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.931 0.396 . . . . 0.3 110.536 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 50.8 m -56.92 -31.4 64.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.555 . . . . 1.13 111.863 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' 1955 ' ' ARG . 48.1 mt-10 -73.85 -24.95 59.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.309 0.576 . . . . 1.86 110.517 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.976 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 75.1 mmtt -76.32 -41.08 49.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 0.65 110.012 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.887 HG11 ' HB2' ' A' 1865 ' ' ALA . 12.1 t -57.86 -45.4 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.27 111.186 -177.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 22.4 p -62.77 -31.34 72.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 1.3 110.661 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.491 ' HB3' ' NE ' ' A' 1919 ' ' ARG . 60.1 m170 -76.0 -39.29 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 1.11 110.51 176.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.729 HG22 ' HB3' ' A' 1919 ' ' ARG . 64.9 t -59.77 -51.1 76.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.926 -0.398 . . . . 0.35 109.926 176.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.602 HD21 ' HB3' ' A' 1861 ' ' ALA . 84.1 mt -57.39 -45.45 84.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.704 -0.68 . . . . 0.35 110.967 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.86 70.2 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.843 -0.617 . . . . 0.4 112.028 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.89 -28.31 69.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.46 111.041 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.702 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.5 mm? -72.81 -48.88 34.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.5 111.564 -179.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -73.34 -18.95 61.13 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.851 -0.34 . . . . 1.7 110.705 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.45 . . . . 0.93 110.402 176.534 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.146 0.498 . . . . 0.74 109.741 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.41 -42.13 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.679 -0.691 . . . . 0.87 110.119 174.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 23.3 m -63.53 -36.37 83.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.97 110.996 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.452 HG23 ' CE2' ' A' 1893 ' ' TYR . 66.9 mt -66.66 -47.4 83.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.98 0.419 . . . . 0.32 110.342 177.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 37.2 m -62.56 -37.04 84.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.61 110.754 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.29 -41.19 98.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 2.49 110.014 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' 1837 ' ' GLN . . . -61.11 -35.68 77.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.561 . . . . 0.34 110.997 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1835 ' ' ILE . . . . . 0.427 HD11 ' O ' ' A' 1924 ' ' GLY . 46.7 mt -62.57 -48.63 87.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.296 -0.411 . . . . 0.49 110.002 175.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -67.06 -38.15 85.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.493 -0.776 . . . . 0.72 112.142 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1837 ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.3 pt20 -65.65 -33.36 75.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 1.0 110.542 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1838 ' ' LEU . . . . . 0.548 HD23 ' HG2' ' A' 1901 ' ' LYS . 84.2 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.79 110.481 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.572 ' HE1' HD11 ' A' 1916 ' ' ILE . 86.8 t80 . . . . . 0 C--O 1.227 -0.086 0 N-CA-C 111.255 0.094 . . . . 0.68 111.255 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 8.9 p -61.85 -33.8 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.79 111.4 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.35 -48.4 70.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.128 0.49 . . . . 1.71 110.604 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -73.16 -34.48 66.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 1.07 110.669 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.666 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 57.0 tt0 -56.61 -57.09 13.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.469 -0.332 . . . . 0.99 110.922 177.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 15.8 p -60.55 -31.0 70.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 1.46 111.23 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 88.5 m -73.12 -51.68 17.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.38 -0.373 . . . . 0.42 110.866 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 87.9 mtp -65.23 -42.42 93.4 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.327 0.491 . . . . 0.71 112.327 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.719 ' O ' ' HG3' ' A' 1862 ' ' LYS . 18.9 m -62.93 -31.37 52.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.306 0 C-N-CA 120.123 -0.631 . . . . 0.29 110.748 -177.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -73.18 -43.64 61.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 3.02 110.626 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 13.4 m -67.23 -33.11 74.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.35 110.684 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.523 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.68 -42.87 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.25 110.89 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.8 mttt -62.65 -32.34 73.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.138 0.494 . . . . 1.31 110.329 176.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.64 84.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.763 -0.653 . . . . 0.41 111.25 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.76 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.58 -29.15 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.1 -0.64 . . . . 0.28 109.838 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.848 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.99 -43.39 74.97 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.336 -0.393 . . . . 0.2 111.266 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.46 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 11.0 p -65.85 -25.38 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.226 0.536 . . . . 0.73 110.123 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 95.8 m -76.85 -47.67 20.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.013 -0.539 . . . . 0.25 111.147 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.716 HG23 HD11 ' A' 1930 ' ' LEU . 3.7 p -66.78 -34.61 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.869 0.366 . . . . 0.28 110.676 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.572 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -70.75 -26.0 63.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.644 -0.502 . . . . 0.91 109.644 176.532 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' 1874 ' ' LYS . 8.6 tp10 -75.77 -31.21 59.41 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.695 -0.483 . . . . 0.57 109.695 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.542 ' SD ' HD22 ' A' 1882 ' ' LEU . 8.5 mmt -55.06 -47.77 74.37 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.891 -0.595 . . . . 1.25 111.592 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.782 HG23 HG23 ' A' 1951 ' ' ILE . 10.0 p -64.43 -31.71 54.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.376 0.608 . . . . 0.59 110.709 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 96.4 m -79.12 -51.54 9.4 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.494 -0.775 . . . . 0.44 110.923 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.725 ' HG3' HD11 ' A' 1885 ' ' LEU . 8.5 mmpt? -63.63 -29.79 70.99 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.145 -0.48 . . . . 1.4 111.783 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.518 ' HB3' ' HG3' ' A' 1947 ' ' LYS . 50.3 m -62.32 -26.59 68.52 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.948 -0.701 . . . . 1.11 110.587 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -82.48 -33.02 28.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.883 -0.598 . . . . 0.76 111.485 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 20.0 p -108.34 -45.36 3.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.171 0.804 . . . . 1.32 113.171 -172.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 69.0 m -146.68 81.32 9.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.593 0.235 . . . . 1.17 110.97 -169.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.47 -23.36 76.55 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.676 2.251 . . . . 0.67 112.948 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.72 -18.22 61.02 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.12 -0.232 . . . . 2.24 111.54 -177.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.607 ' O ' ' HG ' ' A' 1885 ' ' LEU . 37.4 mt-10 -81.39 -10.54 59.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.06 -0.256 . . . . 1.89 111.318 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.542 HD22 ' SD ' ' A' 1871 ' ' MET . 90.6 mt -64.62 -33.97 77.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.578 0.228 . . . . 0.34 111.005 -177.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.53 -54.81 31.24 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.965 -0.636 . . . . 0.38 112.912 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.44 ' HD2' ' C ' ' A' 1881 ' ' GLU . 54.8 Cg_exo -55.16 -34.57 88.22 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.625 2.217 . . . . 0.58 112.741 172.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.725 HD11 ' HG3' ' A' 1874 ' ' LYS . 69.6 mt -71.87 -43.96 64.57 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.03 -0.268 . . . . 0.37 110.393 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.95 71.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.6 -0.519 . . . . 0.36 109.6 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -60.3 -53.77 53.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.149 -0.932 . . . . 1.43 111.328 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -67.56 -43.53 80.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.456 -0.338 . . . . 1.07 110.944 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.473 HD12 ' HB ' ' A' 1864 ' ' ILE . 52.1 tp -54.51 -40.5 68.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.009 0.433 . . . . 0.25 110.17 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 53.7 m -65.73 -47.14 76.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.637 -0.711 . . . . 0.28 111.053 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 12.8 t -68.98 -49.89 53.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.097 -0.502 . . . . 1.17 111.359 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -64.57 -32.32 73.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.8 110.834 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1893 ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 42.6 t80 -62.59 -44.54 96.06 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.711 -0.396 . . . . 0.31 110.031 173.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.11 -32.44 63.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.084 -0.579 . . . . 0.31 112.052 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.554 ' O ' ' HG2' ' A' 1899 ' ' GLN . 65.1 mtp180 -67.94 -46.14 72.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.968 -0.382 . . . . 3.04 109.968 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1896 ' ' LEU . . . . . . . . . . . . . 64.7 mt -57.67 -46.12 84.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.86 110.752 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -66.8 -26.21 66.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.031 -0.531 . . . . 0.49 111.051 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 24.5 t -72.5 -39.71 67.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.219 -0.446 . . . . 1.38 110.251 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' 1895 ' ' ARG . 47.6 mm-40 -77.44 -36.16 53.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 1.56 110.608 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -59.31 -33.29 70.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.832 0.678 . . . . 0.34 112.832 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.879 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 8.6 mtpm? -60.51 -60.24 11.26 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 121.055 -0.258 . . . . 2.27 111.087 -178.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.879 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 15.6 Cg_exo -69.75 -29.36 24.01 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.877 1.718 . . . . 0.6 112.289 176.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.51 -35.36 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.772 0.32 . . . . 0.39 111.058 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1904 ' ' ALA . . . . . 0.456 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -61.59 -46.09 91.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.46 111.207 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1905 ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' 1902 ' ' PRO . 9.9 p -76.67 -26.49 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.943 0.402 . . . . 1.26 110.949 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.32 -18.24 59.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.64 111.125 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -66.73 156.54 35.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.494 -0.321 . . . . 0.85 110.897 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -77.6 -17.46 57.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.051 -0.522 . . . . 2.67 110.795 -175.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 41.4 t30 -139.7 137.82 35.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.55 . . . . 2.18 110.221 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -54.02 -40.05 66.69 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.583 0.552 . . . . 2.24 111.01 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1911 ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' 1915 ' ' HIS . 43.0 mt-10 -60.3 -39.04 85.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 2.49 111.016 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' 1916 ' ' ILE . 46.0 mm -67.08 -45.34 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.209 -0.45 . . . . 0.89 109.98 178.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.87 -44.8 97.35 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.808 -0.71 . . . . 0.51 111.692 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1914 ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' 1917 ' ' LYS . . . -59.67 -42.54 93.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.16 0.505 . . . . 0.46 110.234 175.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.424 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.3 t-80 -60.08 -43.01 95.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.272 -0.876 . . . . 1.62 110.192 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.572 HD11 ' HE1' ' A' 1850 ' ' PHE . 86.3 mt -61.06 -56.22 19.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 0.4 111.22 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.628 ' O ' ' HG2' ' A' 1921 ' ' GLN . 9.9 ptpt -64.06 -38.59 91.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 1.36 111.162 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -69.09 -30.95 69.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.581 0.229 . . . . 1.91 111.056 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.738 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 1.6 mmp_? -78.12 -24.7 47.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.849 0.357 . . . . 2.55 110.696 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' 1916 ' ' ILE . 61.8 t -73.94 -28.88 24.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.277 0.561 . . . . 0.35 109.494 173.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' 1917 ' ' LYS . 10.9 mm100 -62.0 -31.45 71.82 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.987 -0.552 . . . . 1.22 109.91 174.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.507 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 37.3 mm-40 -55.56 -53.88 50.95 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.776 -0.647 . . . . 1.49 110.349 177.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.682 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.0 mt -66.97 -29.64 69.55 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.53 -0.544 . . . . 0.67 109.53 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1924 ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -57.04 -33.7 64.66 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.577 -0.82 . . . . 0.64 111.978 176.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -94.71 -42.57 8.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.741 0.305 . . . . 0.69 110.435 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -70.61 -53.11 13.13 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.167 -0.47 . . . . 0.25 113.06 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.682 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 92.4 m -62.7 -34.81 77.91 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.194 -0.299 . . . . 1.22 110.194 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1928 ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' 1924 ' ' GLY . 23.1 t -56.49 -50.31 72.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.302 0.572 . . . . 1.03 109.841 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.31 86.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.402 -0.817 . . . . 0.28 110.83 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.716 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.61 -53.63 55.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 0.28 110.744 -178.255 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.6 m -64.25 -39.19 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.26 110.564 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 95.1 m -62.8 -40.98 99.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.12 0.486 . . . . 0.8 110.57 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.567 ' HE3' HG23 ' A' 1946 ' ' THR . 42.9 tptt -67.52 -39.55 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.797 -0.638 . . . . 1.27 110.262 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -57.29 -45.55 84.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 0.3 111.157 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.49 -41.96 97.39 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.755 -0.736 . . . . 0.4 112.182 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.06 65.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.879 0.371 . . . . 0.5 110.874 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.08 -42.81 62.61 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.66 -0.496 . . . . 0.41 109.66 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.7 -24.88 67.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.927 0.394 . . . . 1.06 111.5 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 99.3 m -67.59 -31.76 72.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.016 -0.538 . . . . 1.43 110.667 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.6 m -151.8 72.06 8.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.551 -0.537 . . . . 0.8 109.551 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.84 -22.56 18.25 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.511 2.808 . . . . 0.69 113.332 -176.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 47.8 m -70.15 -20.88 63.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.948 -0.569 . . . . 1.54 112.144 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.48 113.7 8.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.418 . . . . 1.16 110.889 -174.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 41.4 t -71.04 -39.51 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.556 . . . . 1.33 110.989 -176.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.475 ' O ' ' HG3' ' A' 1949 ' ' GLU . 43.1 t80 -62.33 -50.26 72.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.5 . . . . 1.91 110.585 -176.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.567 HG23 ' HE3' ' A' 1933 ' ' LYS . 31.7 m -62.37 -40.84 97.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.081 -0.509 . . . . 0.6 110.806 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.518 ' HG3' ' HB3' ' A' 1875 ' ' SER . 38.6 ttpt -63.4 -43.98 95.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 1.2 110.476 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.403 ' HA ' HD12 ' A' 1951 ' ' ILE . 40.5 ttmt -64.57 -38.36 90.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 2.67 110.546 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' 1945 ' ' TYR . 50.9 mt-10 -64.72 -34.4 78.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.614 -0.266 . . . . 1.53 110.984 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.55 -38.91 77.66 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.617 -0.512 . . . . 0.31 109.617 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.782 HG23 HG23 ' A' 1872 ' ' VAL . 91.7 mt -56.56 -43.58 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.194 0.521 . . . . 0.35 109.712 172.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.604 ' O ' ' HG3' ' A' 1956 ' ' ARG . 21.2 mm-40 -62.95 -46.55 87.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.59 -0.732 . . . . 2.11 110.744 175.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.473 ' O ' HG23 ' A' 1957 ' ' VAL . 73.3 m -57.42 -41.92 81.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.767 0.317 . . . . 0.88 110.538 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.59 -51.41 69.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 0.25 111.637 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.532 ' O ' ' HG3' ' A' 1959 ' ' GLU . 7.5 ptm180 -62.73 -34.28 76.85 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.768 -0.373 . . . . 3.21 110.997 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.604 ' HG3' ' O ' ' A' 1952 ' ' GLU . 97.6 mtt180 -66.09 -45.57 80.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.849 0.357 . . . . 3.16 110.816 178.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.657 ' HB ' HG21 ' A' 1868 ' ' VAL . 91.7 t -65.51 -40.95 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.3 110.643 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.1 m -57.97 -36.62 72.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.362 -0.381 . . . . 1.13 110.915 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.0 mt-10 -64.59 -35.34 80.68 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.153 0.501 . . . . 1.86 110.376 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.507 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.1 mmtt -70.48 -40.56 73.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.758 -0.655 . . . . 0.65 110.79 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.848 HG11 ' HB2' ' A' 1865 ' ' ALA . 22.1 t -55.39 -41.98 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.944 0.402 . . . . 0.27 110.48 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 44.0 t -57.03 -40.24 76.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.73 -0.668 . . . . 1.3 110.623 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 65.0 m170 -76.9 -29.57 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 1.11 110.734 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' 1960 ' ' LYS . 67.1 t -67.82 -49.91 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.111 0.482 . . . . 0.35 109.831 175.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' 1969 ' ' GLN . 82.3 mt -59.08 -41.27 87.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.697 -0.683 . . . . 0.35 110.495 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.41 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.791 -0.641 . . . . 0.4 111.202 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -58.03 -42.19 84.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 0.46 110.865 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.666 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -72.1 -39.55 68.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.5 110.734 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1969 ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' 1965 ' ' LEU . 31.4 mm-40 -64.69 -32.71 74.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.214 -0.448 . . . . 1.7 110.53 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.93 111.282 -178.867 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 121.036 0.446 . . . . 0.74 110.387 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.34 -39.92 93.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.87 109.985 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 22.6 t -63.69 -38.78 92.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.996 -0.547 . . . . 0.97 110.023 177.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.61 HG23 ' CE2' ' A' 1893 ' ' TYR . 30.2 mt -66.15 -43.59 92.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.107 -0.497 . . . . 0.32 110.235 176.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 50.9 m -60.16 -41.11 92.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.61 110.757 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.25 -39.8 88.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 2.49 110.17 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.511 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -65.29 -30.57 71.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.604 . . . . 0.34 111.511 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1835 ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' 1831 ' ' ILE . 23.9 mt -65.85 -49.03 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.351 0.596 . . . . 0.49 109.853 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -71.21 -39.58 71.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.26 -0.882 . . . . 0.72 111.717 -175.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1837 ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.2 pt20 -61.73 -25.78 67.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.518 -176.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1838 ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' 1834 ' ' ALA . 80.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.034 0.445 . . . . 0.79 110.58 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.535 ' HE1' HD11 ' A' 1916 ' ' ILE . 91.1 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.732 0.301 . . . . 0.68 110.233 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.6 p -60.86 -37.2 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.79 111.071 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.09 -50.66 67.43 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.134 0.493 . . . . 1.71 110.458 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -70.56 -36.23 73.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.824 -0.626 . . . . 1.07 111.39 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.657 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 59.7 tt0 -55.58 -55.85 27.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.098 0.249 . . . . 0.99 111.386 -179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.497 ' O ' ' HG3' ' A' 1859 ' ' ARG . 13.2 t -63.09 -34.3 77.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.43 -0.35 . . . . 1.46 111.175 -175.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 26.2 m -74.4 -44.87 50.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.761 0.315 . . . . 0.42 110.943 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 37.2 mmm -61.52 -42.39 98.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.71 111.706 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.712 ' O ' ' HG3' ' A' 1862 ' ' LYS . 31.0 m -64.01 -30.15 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.348 -0.541 . . . . 0.29 110.648 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' 1855 ' ' THR . 63.6 mtp180 -71.62 -47.85 51.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.823 0.345 . . . . 3.02 110.434 178.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.584 ' HB ' HD13 ' A' 1896 ' ' LEU . 3.0 m -65.02 -33.73 76.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.35 110.989 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' 1864 ' ' ILE . . . -65.19 -42.35 93.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.372 -0.376 . . . . 0.25 110.948 178.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.712 ' HG3' ' O ' ' A' 1858 ' ' VAL . 80.6 mttt -64.03 -35.29 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.032 0.444 . . . . 1.31 110.039 177.041 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.98 92.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.565 -0.743 . . . . 0.41 111.32 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.739 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.73 -28.03 14.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.441 -0.503 . . . . 0.28 110.196 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.859 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -69.65 -43.04 73.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.347 -0.388 . . . . 0.2 111.469 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.423 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.3 p -66.85 -26.32 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.73 110.002 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 75.6 m -74.22 -47.71 33.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.61 -0.723 . . . . 0.25 110.844 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.824 HG21 ' HB ' ' A' 1957 ' ' VAL . 7.3 p -69.38 -32.38 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.723 0.297 . . . . 0.28 111.063 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -69.53 -26.2 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.325 0.583 . . . . 0.91 109.431 175.628 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.468 ' HG3' ' HG3' ' A' 1874 ' ' LYS . 7.5 tp10 -77.83 -33.09 52.51 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 116.078 -0.51 . . . . 0.57 109.685 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.512 ' SD ' HD22 ' A' 1882 ' ' LEU . 5.6 mmt -54.14 -54.93 32.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.888 -0.596 . . . . 1.25 111.358 177.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.665 HG23 HG23 ' A' 1951 ' ' ILE . 11.9 p -59.32 -36.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.516 0.674 . . . . 0.59 110.969 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 85.9 m -76.28 -46.85 25.98 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.125 -0.943 . . . . 0.44 111.118 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.569 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 7.3 mmpt? -77.21 -25.38 51.63 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 116.189 -0.459 . . . . 1.4 111.819 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.445 ' O ' ' HD2' ' A' 1947 ' ' LYS . 20.6 t -63.01 -31.26 72.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.32 0.581 . . . . 1.11 110.036 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -80.0 -27.5 39.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.568 -0.742 . . . . 0.76 111.622 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 11.5 p -109.34 -45.54 3.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.994 0.738 . . . . 1.32 112.994 -172.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1878 ' ' SER . . . . . 0.426 ' HB3' ' HG3' ' A' 1881 ' ' GLU . 69.5 m -140.82 91.29 9.25 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.336 -0.393 . . . . 1.17 111.07 -169.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.8 -27.1 37.96 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.549 2.166 . . . . 0.67 113.326 -174.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.71 -9.8 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 2.24 111.194 -177.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' 1885 ' ' LEU . 31.0 mt-10 -82.14 -10.26 59.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 1.89 110.577 174.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.512 HD22 ' SD ' ' A' 1871 ' ' MET . 95.8 mt -72.63 -31.13 64.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.491 . . . . 0.34 111.639 -176.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1883 ' ' GLY . . . . . 0.412 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -60.59 -55.36 30.38 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.941 -0.647 . . . . 0.38 113.174 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' 1883 ' ' GLY . 9.9 Cg_endo -56.39 -35.81 96.62 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.531 2.154 . . . . 0.58 112.371 174.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' 1881 ' ' GLU . 80.2 mt -70.93 -43.06 68.99 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.567 -0.288 . . . . 0.37 110.466 179.121 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.71 -36.49 69.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.264 -0.426 . . . . 0.36 109.874 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -71.78 -44.22 64.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.099 -0.5 . . . . 1.43 110.687 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.51 -47.85 79.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 1.07 110.58 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.664 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 44.4 tp -54.66 -43.25 72.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.25 109.889 176.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1890 ' ' THR . . . . . 0.497 HG23 HG13 ' A' 1831 ' ' ILE . 51.8 m -61.79 -49.61 75.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.555 -0.748 . . . . 0.28 111.382 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1891 ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' 1895 ' ' ARG . 81.5 p -67.7 -48.46 66.47 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.904 0.383 . . . . 1.17 111.29 -173.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1892 ' ' ASP . . . . . 0.439 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 7.4 m-20 -62.78 -37.6 87.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.973 -0.558 . . . . 0.8 111.273 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1893 ' ' TYR . . . . . 0.61 ' CE2' HG23 ' A' 1831 ' ' ILE . 50.9 t80 -63.02 -44.69 95.27 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.762 -0.375 . . . . 0.31 110.488 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.56 -42.4 90.25 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.84 -0.695 . . . . 0.31 111.72 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 74.4 mtt180 -61.98 -49.98 73.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.799 0.333 . . . . 3.04 110.493 177.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.584 HD13 ' HB ' ' A' 1860 ' ' THR . 21.2 tp -56.79 -51.47 68.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.826 -0.625 . . . . 0.86 110.892 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.17 -30.6 71.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.34 -0.391 . . . . 0.49 111.716 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 49.5 m -73.28 -32.3 64.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.851 0.357 . . . . 1.38 110.755 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -79.36 -29.3 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.995 -0.548 . . . . 1.56 110.825 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.72 97.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.688 -0.687 . . . . 0.34 112.75 -174.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.526 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 5.0 tmtt? -65.12 -54.62 32.17 Favored Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 121.002 -0.279 . . . . 2.27 111.405 -176.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 32.6 Cg_exo -61.01 -30.18 89.26 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.038 1.825 . . . . 0.6 112.266 176.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.33 97.4 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.144 0.497 . . . . 0.39 110.251 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1904 ' ' ALA . . . . . 0.451 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -63.09 -37.55 87.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.339 -0.846 . . . . 0.46 111.142 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 46.7 t -75.52 -26.63 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.806 -0.634 . . . . 1.26 110.464 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -84.06 -12.65 54.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.64 111.196 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.05 147.11 52.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.215 -0.448 . . . . 0.85 110.873 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.97 -40.8 83.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 2.67 110.432 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.699 ' HB3' HG12 ' A' 1912 ' ' ILE . 47.1 t-20 -106.16 137.05 44.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.722 -0.672 . . . . 2.18 109.941 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.33 -38.23 90.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.294 -0.412 . . . . 2.24 109.904 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.8 -35.67 77.06 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.884 0.373 . . . . 2.49 110.629 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.699 HG12 ' HB3' ' A' 1909 ' ' ASN . 34.8 mm -66.43 -43.59 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.816 -0.629 . . . . 0.89 109.954 178.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1913 ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -64.62 -46.62 89.5 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.753 -0.736 . . . . 0.51 111.885 176.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1914 ' ' ALA . . . . . 0.407 ' HA ' ' HE2' ' A' 1917 ' ' LYS . . . -55.8 -41.12 73.68 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.06 0.457 . . . . 0.46 110.352 176.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' 1919 ' ' ARG . 3.4 t-80 -59.76 -46.15 90.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.283 -0.871 . . . . 1.62 110.609 -178.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.535 HD11 ' HE1' ' A' 1850 ' ' PHE . 79.7 mt -59.29 -54.67 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.4 110.908 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' 1914 ' ' ALA . 48.1 mtmt -59.42 -47.34 85.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 1.36 110.872 -177.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 48.5 m170 -65.31 -34.46 78.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.521 -0.763 . . . . 1.91 111.792 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' 1915 ' ' HIS . 6.6 mmp_? -73.02 -31.73 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.035 -0.266 . . . . 2.55 110.78 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' 1916 ' ' ILE . 93.0 t -67.1 -32.18 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.092 0.472 . . . . 0.35 110.294 176.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.22 -22.57 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 1.22 110.977 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.515 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 6.5 mm-40 -57.45 -43.22 83.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.473 -0.566 . . . . 1.49 109.473 171.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.406 ' HB2' ' CE1' ' A' 1893 ' ' TYR . 52.3 mt -73.37 -26.85 61.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.648 -0.706 . . . . 0.67 109.714 173.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.5 -33.43 58.92 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.585 -0.817 . . . . 0.64 111.455 173.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -93.85 -39.21 10.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 0.69 110.55 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.0 -53.63 9.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.192 -0.528 . . . . 0.25 113.493 -176.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.664 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 22.3 t -62.26 -44.44 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.729 0.265 . . . . 1.22 110.37 -175.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 15.3 m -53.69 -51.29 63.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 1.03 110.63 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.49 98.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.689 -0.687 . . . . 0.28 111.096 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.63 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -63.54 -52.56 60.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.28 110.808 -178.483 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 28.2 m -66.87 -31.93 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.697 0.284 . . . . 0.26 110.864 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 97.2 m -65.73 -43.94 87.53 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.23 0.538 . . . . 0.8 110.113 174.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.613 ' HE3' HG23 ' A' 1946 ' ' THR . 26.2 tptt -62.71 -45.15 94.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.467 -0.788 . . . . 1.27 110.328 -178.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.64 84.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.859 -0.61 . . . . 0.3 111.233 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.53 -45.57 95.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.867 -0.683 . . . . 0.4 112.009 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.46 -28.96 59.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.5 110.889 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' 1947 ' ' LYS . 2.7 tm? -71.83 -35.0 69.77 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.052 -0.522 . . . . 0.41 109.666 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -74.2 -25.95 59.98 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.671 -0.412 . . . . 1.06 110.932 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 37.5 t -69.6 -30.55 68.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.055 0.455 . . . . 1.43 109.794 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 49.5 m -147.05 77.32 10.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.8 109.825 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.09 -3.41 8.45 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.142 2.562 . . . . 0.69 112.725 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 8.3 t -94.14 -5.58 46.85 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.696 -0.684 . . . . 1.54 110.555 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.16 102.38 11.05 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.959 -0.386 . . . . 1.16 109.959 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 12.2 m -68.08 -34.89 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.08 -0.509 . . . . 1.33 112.235 -175.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 73.4 t80 -64.72 -49.79 69.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.439 -0.346 . . . . 1.91 110.925 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.613 HG23 ' HE3' ' A' 1933 ' ' LYS . 47.3 m -65.15 -36.17 83.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.342 -0.39 . . . . 0.6 110.804 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.456 ' HB2' HD21 ' A' 1937 ' ' LEU . 38.1 ttpt -63.52 -42.37 98.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.002 -0.545 . . . . 1.2 110.155 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.34 -40.79 97.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 2.67 110.619 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.494 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 46.4 mt-10 -65.81 -31.57 72.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.449 -0.341 . . . . 1.53 111.177 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.1 -37.8 81.58 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.621 -0.511 . . . . 0.31 109.621 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.665 HG23 HG23 ' A' 1872 ' ' VAL . 86.1 mt -58.2 -43.5 85.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.06 -0.518 . . . . 0.35 109.706 174.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.609 ' O ' ' HG3' ' A' 1956 ' ' ARG . 20.6 mm-40 -61.76 -47.5 84.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.739 -0.664 . . . . 2.11 110.744 174.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.478 ' O ' HG23 ' A' 1957 ' ' VAL . 76.6 m -56.47 -44.16 80.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.671 0.272 . . . . 0.88 110.884 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.31 70.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.25 111.892 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' 1952 ' ' GLU . 11.7 ptm180 -62.63 -34.36 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.053 -0.259 . . . . 3.21 110.952 -178.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' 1952 ' ' GLU . 98.9 mtt180 -65.71 -47.06 76.66 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.465 -0.334 . . . . 3.16 110.384 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.824 ' HB ' HG21 ' A' 1868 ' ' VAL . 96.5 t -62.6 -44.05 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.3 110.421 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 41.6 m -55.76 -36.32 67.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.98 -0.555 . . . . 1.13 111.464 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' 1955 ' ' ARG . 41.5 mt-10 -74.83 -34.46 62.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.929 0.395 . . . . 1.86 111.102 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.515 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.8 mmtt -67.3 -34.68 77.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.454 -0.339 . . . . 0.65 110.703 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.859 HG11 ' HB2' ' A' 1865 ' ' ALA . 34.7 t -54.34 -48.65 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 O-C-N 123.34 0.4 . . . . 0.27 111.22 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 29.7 m -59.48 -36.07 75.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 1.3 110.968 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 77.9 m80 -72.93 -33.73 66.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 1.11 110.835 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' 1960 ' ' LYS . 58.9 t -68.01 -45.74 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.854 -0.425 . . . . 0.35 109.854 175.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' 1861 ' ' ALA . 65.9 mt -56.89 -46.52 81.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.714 -0.676 . . . . 0.35 111.245 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.61 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.4 111.863 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -62.31 -25.89 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.417 . . . . 0.46 111.214 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.657 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -74.69 -50.07 18.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.404 . . . . 0.5 111.204 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -70.81 -15.75 62.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.869 0.366 . . . . 1.7 110.82 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.039 -0.528 . . . . 0.93 110.298 175.494 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 121.005 0.431 . . . . 0.74 110.052 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.52 -31.0 67.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.027 -0.533 . . . . 0.87 110.121 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 74.6 m -59.65 -32.99 70.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.746 -0.661 . . . . 0.97 110.694 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.598 HG23 ' CE2' ' A' 1893 ' ' TYR . 58.6 mt -69.61 -44.71 79.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.986 0.422 . . . . 0.32 110.125 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 10.4 m -62.85 -40.17 96.63 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.93 -0.577 . . . . 0.61 110.64 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.41 -40.97 96.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 2.49 110.191 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -60.73 -32.0 71.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.78 . . . . 0.34 111.352 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1835 ' ' ILE . . . . . 0.425 HD11 ' C ' ' A' 1924 ' ' GLY . 51.9 mt -65.56 -54.92 22.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.078 0.466 . . . . 0.49 110.155 175.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -61.6 -46.68 88.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.589 -0.732 . . . . 0.72 111.786 -175.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -56.93 -31.28 64.79 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.364 0.505 . . . . 1.0 112.364 -173.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1838 ' ' LEU . . . . . 0.502 HD21 ' O ' ' A' 1897 ' ' ALA . 80.3 mt . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 111.665 0.246 . . . . 0.79 111.665 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1850 ' ' PHE . . . . . 0.599 ' HE1' HD11 ' A' 1916 ' ' ILE . 84.6 t80 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.633 0.254 . . . . 0.68 110.728 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -59.15 -35.2 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.057 -0.52 . . . . 0.79 111.601 -177.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.57 -50.64 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.252 0.549 . . . . 1.71 110.872 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.7 -31.03 56.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.851 -0.613 . . . . 1.07 110.805 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.682 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 51.5 tt0 -56.75 -57.27 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.99 111.121 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1855 ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' 1859 ' ' ARG . 14.9 t -62.98 -31.04 72.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 1.46 110.631 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 90.2 m -72.8 -43.96 62.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.286 -0.416 . . . . 0.42 111.394 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 81.4 mtp -71.34 -38.82 71.63 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.996 0.369 . . . . 0.71 111.996 -176.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.665 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.5 m -61.87 -31.41 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.519 -0.472 . . . . 0.29 110.77 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' 1855 ' ' THR . 68.7 mtt180 -70.34 -44.12 68.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.844 0.354 . . . . 3.02 110.457 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.599 ' HB ' HD21 ' A' 1896 ' ' LEU . 23.5 m -66.86 -33.17 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.303 -0.408 . . . . 0.35 110.921 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.5 ' O ' HG13 ' A' 1864 ' ' ILE . . . -61.78 -42.19 98.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.25 110.541 175.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.665 ' HG3' ' O ' ' A' 1858 ' ' VAL . 59.4 mttm -62.38 -31.94 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 1.31 110.414 176.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.51 72.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.763 -0.653 . . . . 0.41 111.249 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.768 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -75.77 -29.8 20.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.393 -0.523 . . . . 0.28 109.994 178.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.844 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.22 -44.49 68.47 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 116.269 -0.423 . . . . 0.2 111.614 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.8 p -64.64 -26.49 40.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.368 0.604 . . . . 0.73 110.087 177.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 98.8 m -74.39 -49.95 20.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 0.25 111.159 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.795 HG21 ' HB ' ' A' 1957 ' ' VAL . 5.1 p -65.96 -32.65 59.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.827 0.346 . . . . 0.28 111.035 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.622 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -69.96 -27.91 65.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.217 0.532 . . . . 0.91 109.719 176.851 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.493 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.9 tp10 -78.09 -35.92 48.78 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.87 -0.418 . . . . 0.57 109.87 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' 1885 ' ' LEU . 48.5 mmm -60.85 -34.34 74.44 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.15 -0.477 . . . . 1.25 111.513 -178.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' 1869 ' ' GLN . 9.5 p -70.04 -34.75 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.483 0.659 . . . . 0.59 110.301 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 84.8 m -80.97 -42.52 21.11 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.617 -0.72 . . . . 0.44 110.98 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.774 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -70.67 -32.65 69.98 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 116.151 -0.477 . . . . 1.4 112.159 -175.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1875 ' ' SER . . . . . 0.468 ' HA ' HD11 ' A' 1882 ' ' LEU . 10.1 p -62.39 -26.46 68.49 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.49 0.662 . . . . 1.11 110.58 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -82.57 -34.78 27.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.346 -0.843 . . . . 0.76 112.035 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 7.6 p -108.88 -35.95 6.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.253 0.834 . . . . 1.32 113.253 -170.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 72.6 m -150.0 85.86 5.43 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.42 -0.355 . . . . 1.17 110.507 -171.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1879 ' ' PRO . . . . . 0.402 ' HG3' ' HB3' ' A' 1941 ' ' PRO . 26.6 Cg_endo -61.19 -29.43 86.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.574 2.182 . . . . 0.67 112.165 -177.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.22 -24.72 64.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.858 -0.61 . . . . 2.24 111.181 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.408 ' O ' ' HD2' ' A' 1884 ' ' PRO . 33.7 mm-40 -74.32 -17.07 60.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 1.89 111.388 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' 1875 ' ' SER . 92.5 mt -68.78 -23.68 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.101 -0.5 . . . . 0.34 111.219 -178.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.42 17.95 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.63 -0.795 . . . . 0.38 112.877 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' 1881 ' ' GLU . 36.3 Cg_exo -59.96 -33.44 95.64 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.522 2.148 . . . . 0.58 112.194 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1885 ' ' LEU . . . . . 0.416 ' HB2' ' SD ' ' A' 1871 ' ' MET . 76.2 mt -73.5 -46.12 49.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.266 -0.425 . . . . 0.37 110.95 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.39 -31.23 65.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.145 0.498 . . . . 0.36 109.679 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -70.32 -50.78 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.559 -0.746 . . . . 1.43 110.521 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -64.58 -42.48 95.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 1.07 110.548 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.448 HD12 ' HB ' ' A' 1864 ' ' ILE . 47.3 tp -56.34 -42.68 78.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.25 109.763 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 37.3 m -64.14 -49.15 73.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.413 -0.812 . . . . 0.28 111.153 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 17.3 t -65.24 -53.05 50.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.94 -0.573 . . . . 1.17 111.72 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.52 -35.16 79.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.8 111.208 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1893 ' ' TYR . . . . . 0.598 ' CE2' HG23 ' A' 1831 ' ' ILE . 58.0 t80 -63.77 -41.21 98.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.31 110.297 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -65.47 -30.6 77.92 Favored Glycine 0 CA--C 1.507 -0.452 0 N-CA-C 110.904 -0.878 . . . . 0.31 110.904 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' A' 1899 ' ' GLN . 6.7 ttp180 -72.14 -40.23 68.19 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.917 -0.642 . . . . 3.04 110.479 175.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.599 HD21 ' HB ' ' A' 1860 ' ' THR . 14.5 mt -63.85 -40.9 97.66 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.827 -0.349 . . . . 0.86 110.497 175.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1897 ' ' ALA . . . . . 0.502 ' O ' HD21 ' A' 1838 ' ' LEU . . . -63.34 -32.41 73.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.744 -0.662 . . . . 0.49 112.024 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 10.0 p -80.36 -44.5 19.35 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.939 -0.304 . . . . 1.38 110.835 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1899 ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' 1895 ' ' ARG . 90.8 mt-30 -65.1 -24.12 67.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.464 -0.334 . . . . 1.56 111.722 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -65.74 -27.96 68.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.431 -0.35 . . . . 0.34 111.628 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.544 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 97.0 mttt -64.37 -59.7 10.26 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 116.644 -0.253 . . . . 2.27 111.33 -179.073 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 36.1 Cg_endo -66.4 -30.0 44.89 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.743 1.629 . . . . 0.6 112.153 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.17 97.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.014 0.435 . . . . 0.39 110.555 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.13 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.625 . . . . 0.46 111.006 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 49.0 t -75.55 -32.9 25.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 1.26 111.037 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -75.12 -10.32 59.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.64 111.084 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -76.13 141.67 41.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 0.85 110.379 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -78.81 -11.74 60.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.204 0.526 . . . . 2.67 110.735 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.658 ' HB2' HG12 ' A' 1912 ' ' ILE . 2.1 m-20 -122.35 140.92 52.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.508 . . . . 2.18 109.921 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -65.39 -39.31 92.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.757 -0.46 . . . . 2.24 109.757 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1911 ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' 1911 ' ' GLU . 2.4 mp0 -59.02 -38.95 80.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 2.49 110.813 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.658 HG12 ' HB2' ' A' 1909 ' ' ASN . 42.3 mm -68.74 -44.42 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.015 -0.539 . . . . 0.89 110.281 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.07 -44.79 93.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.51 111.687 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -56.09 -44.02 78.62 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.224 0.535 . . . . 0.46 110.383 175.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1915 ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' 1911 ' ' GLU . 3.1 t-80 -61.61 -42.44 98.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.087 -0.96 . . . . 1.62 110.528 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.599 HD11 ' HE1' ' A' 1850 ' ' PHE . 85.8 mt -62.27 -55.39 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.4 110.803 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.611 ' O ' ' HG2' ' A' 1921 ' ' GLN . 50.2 mtmt -59.47 -44.74 92.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 1.36 110.981 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1918 ' ' HIS . . . . . 0.518 ' HA ' ' CG ' ' A' 1921 ' ' GLN . 2.0 m-70 -75.19 -25.48 58.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.53 0.567 . . . . 1.91 112.53 -175.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.515 ' HA ' ' HD3' ' A' 1919 ' ' ARG . 51.9 mmt-85 -74.93 -28.77 60.73 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.367 -0.533 . . . . 2.55 110.787 174.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1920 ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' 1916 ' ' ILE . 61.0 t -68.5 -34.0 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.556 -0.535 . . . . 0.35 109.556 173.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' A' 1917 ' ' LYS . 10.2 mm100 -57.75 -32.03 67.06 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.773 -0.648 . . . . 1.22 110.575 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.597 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 18.0 mm-40 -59.98 -47.21 86.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.654 -0.703 . . . . 1.49 110.461 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1923 ' ' LEU . . . . . 0.691 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 16.5 mt -70.56 -27.85 64.45 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.285 -0.635 . . . . 0.67 109.285 176.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1924 ' ' GLY . . . . . 0.425 ' C ' HD11 ' A' 1835 ' ' ILE . . . -55.93 -34.29 61.48 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.867 -0.683 . . . . 0.64 112.133 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -89.67 -46.2 8.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.768 0.318 . . . . 0.69 110.466 176.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.06 -56.73 12.82 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.063 -0.589 . . . . 0.25 113.12 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 99.2 m -61.52 -36.27 80.07 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.669 0.388 . . . . 1.22 111.01 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 12.7 t -62.08 -49.73 74.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 1.03 110.019 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.53 86.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.28 110.741 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.721 HD11 HG23 ' A' 1868 ' ' VAL . 0.8 OUTLIER -62.2 -53.36 56.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.78 -0.646 . . . . 0.28 111.362 -179.268 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 18.9 m -66.38 -31.11 52.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.965 0.412 . . . . 0.26 110.644 -177.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 88.4 m -69.41 -41.28 76.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.009 -0.541 . . . . 0.8 110.574 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.537 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.5 tptt -71.84 -35.2 69.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.587 . . . . 1.27 110.829 -176.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -58.04 -37.14 73.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.3 111.5 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.46 98.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.8 -0.715 . . . . 0.4 111.848 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.32 -30.43 62.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.037 0.446 . . . . 0.5 110.605 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' 1947 ' ' LYS . 2.3 tm? -71.59 -37.34 71.0 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.021 -0.536 . . . . 0.41 109.74 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -70.99 -26.08 62.98 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.481 -0.488 . . . . 1.06 110.975 175.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 11.5 t -67.69 -32.27 72.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.204 -0.453 . . . . 1.43 109.822 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 73.9 m -150.77 81.63 6.34 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.8 110.095 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1941 ' ' PRO . . . . . 0.402 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 18.6 Cg_endo -61.07 -18.67 59.32 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.311 2.674 . . . . 0.69 112.855 -176.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 48.2 m -83.39 -12.94 55.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.002 -0.544 . . . . 1.54 111.753 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.4 108.76 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.104 0.478 . . . . 1.16 110.539 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 14.7 m -63.43 -38.54 82.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.615 -0.72 . . . . 1.33 111.99 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -69.9 -46.95 64.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.49 -0.323 . . . . 1.91 110.966 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 35.7 m -60.22 -41.65 93.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 0.6 110.344 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.454 ' O ' HG13 ' A' 1951 ' ' ILE . 38.3 ttpt -63.78 -46.21 86.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.815 -0.63 . . . . 1.2 110.291 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1948 ' ' LYS . . . . . 0.586 ' O ' ' HG2' ' A' 1952 ' ' GLU . 54.6 tttm -56.15 -48.46 76.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.861 -0.609 . . . . 2.67 111.059 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.537 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 52.3 mt-10 -61.79 -35.26 77.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.369 . . . . 1.53 111.483 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1950 ' ' LEU . . . . . 0.417 ' HG ' HD23 ' A' 1930 ' ' LEU . 8.9 tt -68.49 -36.41 78.89 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.72 -0.474 . . . . 0.31 109.72 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.475 HG23 HG23 ' A' 1872 ' ' VAL . 85.6 mt -62.99 -41.38 92.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 0.35 110.03 174.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' 1948 ' ' LYS . 58.4 mm-40 -57.82 -46.73 84.29 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.541 -0.541 . . . . 2.11 109.541 174.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.521 ' O ' HG23 ' A' 1957 ' ' VAL . 69.8 m -58.94 -46.85 86.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.642 -0.708 . . . . 0.88 110.9 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -56.54 -46.04 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.25 111.536 -178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.504 ' O ' ' HG2' ' A' 1959 ' ' GLU . 64.4 mtt180 -60.88 -45.52 94.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.553 -0.294 . . . . 3.21 110.609 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.607 ' O ' ' HG2' ' A' 1960 ' ' LYS . 22.5 mtm180 -60.34 -41.47 93.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.36 -0.382 . . . . 3.16 111.062 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.795 ' HB ' HG21 ' A' 1868 ' ' VAL . 53.5 t -65.02 -47.2 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.901 0.381 . . . . 0.3 110.654 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 16.0 m -57.36 -35.66 70.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 1.13 111.003 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' 1955 ' ' ARG . 5.7 mm-40 -70.53 -29.34 65.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.28 0.562 . . . . 1.86 111.39 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.2 mmtt -76.31 -35.28 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.167 -0.469 . . . . 0.65 110.73 -178.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.844 HG11 ' HB2' ' A' 1865 ' ' ALA . 27.4 t -55.1 -45.85 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 O-C-N 123.224 0.327 . . . . 0.27 111.388 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 41.4 t -58.24 -36.42 73.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.979 0.419 . . . . 1.3 110.429 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 67.1 m80 -77.36 -26.98 52.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.471 . . . . 1.11 111.102 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' 1960 ' ' LYS . 57.7 t -73.13 -45.16 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.699 -0.482 . . . . 0.35 109.699 174.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.547 ' O ' ' HG2' ' A' 1969 ' ' GLN . 71.2 mt -59.76 -46.22 89.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.787 -0.642 . . . . 0.35 110.418 176.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.26 -24.75 65.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.4 111.469 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1967 ' ' ALA . . . . . 0.461 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -62.59 -41.24 98.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.376 . . . . 0.46 110.626 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.682 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -71.49 -38.02 71.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.07 -0.513 . . . . 0.5 110.814 177.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1969 ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' 1965 ' ' LEU . 75.5 mm-40 -64.57 -19.19 65.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 1.7 111.107 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.93 111.358 -179.852 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.234 0.289 0 CA-C-O 121.343 0.592 . . . . 0.74 109.99 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.62 -38.65 84.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.87 109.649 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 18.9 m -57.81 -45.83 85.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.317 -0.856 . . . . 0.97 110.452 175.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.429 HG23 ' CE2' ' A' 1893 ' ' TYR . 61.5 mt -58.61 -43.89 88.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.651 -0.704 . . . . 0.32 110.613 177.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 29.3 m -61.87 -44.23 97.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 0.61 110.973 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -64.82 -37.73 88.6 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.837 0.351 . . . . 2.49 111.044 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1834 ' ' ALA . . . . . 0.475 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -62.44 -31.61 72.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.929 -0.578 . . . . 0.34 111.085 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1835 ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' 1831 ' ' ILE . 67.3 mt -66.3 -46.19 87.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.943 -0.572 . . . . 0.49 110.232 174.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -67.99 -42.52 80.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.659 -0.7 . . . . 0.72 112.196 -174.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1837 ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' 1834 ' ' ALA . 3.1 pt20 -58.52 -30.62 67.22 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.132 0.492 . . . . 1.0 111.623 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1838 ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 81.0 mt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.237 -0.438 . . . . 0.79 111.333 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 80.3 t80 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 111.497 0.184 . . . . 0.68 111.497 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1851 ' ' VAL . . . . . 0.445 ' HA ' ' HB3' ' A' 1854 ' ' GLN . 10.0 p -56.28 -30.73 30.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.457 -0.338 . . . . 0.79 111.191 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.72 -40.89 98.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 1.71 110.623 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -76.15 -40.23 53.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.575 -0.528 . . . . 1.07 109.575 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1854 ' ' GLN . . . . . 0.642 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 47.6 tt0 -54.3 -51.79 63.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.134 -0.939 . . . . 0.99 111.289 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 4.9 p -61.29 -40.32 93.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 1.46 111.324 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 17.5 m -63.57 -37.69 88.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.064 0.459 . . . . 0.42 110.464 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 69.7 mtp -72.44 -51.1 21.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.71 111.871 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1858 ' ' VAL . . . . . 0.709 ' O ' ' HG3' ' A' 1862 ' ' LYS . 29.7 m -58.87 -39.26 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.727 -0.389 . . . . 0.29 111.179 -175.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1859 ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' 1859 ' ' ARG . 40.7 mtp180 -67.56 -37.11 82.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 3.02 110.922 178.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1860 ' ' THR . . . . . 0.591 ' HB ' HD21 ' A' 1896 ' ' LEU . 63.6 m -69.96 -35.5 74.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.978 0.418 . . . . 0.35 110.516 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1861 ' ' ALA . . . . . 0.574 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.07 -42.95 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.25 110.491 176.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1862 ' ' LYS . . . . . 0.709 ' HG3' ' O ' ' A' 1858 ' ' VAL . 80.5 mttt -67.22 -26.43 66.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.87 0.367 . . . . 1.31 110.295 176.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1863 ' ' ALA . . . . . 0.449 ' O ' HG12 ' A' 1866 ' ' VAL . . . -71.07 -42.25 69.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.41 110.886 178.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1864 ' ' ILE . . . . . 0.609 HD11 HG22 ' A' 1961 ' ' VAL . 1.6 pp -73.06 -27.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.703 -0.48 . . . . 0.28 109.703 176.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1865 ' ' ALA . . . . . 0.808 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.34 -40.99 81.4 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.97 -0.559 . . . . 0.2 111.493 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1866 ' ' VAL . . . . . 0.452 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 12.8 p -68.83 -27.49 35.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.354 -0.539 . . . . 0.73 110.121 178.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1867 ' ' THR . . . . . 0.56 ' O ' ' HG3' ' A' 1871 ' ' MET . 99.1 m -70.79 -51.93 23.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.25 110.791 174.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1868 ' ' VAL . . . . . 0.771 HG21 ' HB ' ' A' 1957 ' ' VAL . 7.3 p -63.79 -36.66 77.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.717 0.294 . . . . 0.28 111.024 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1869 ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -68.51 -26.2 65.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.291 0.567 . . . . 0.91 109.794 177.67 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1870 ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' 1869 ' ' GLN . 5.4 tp10 -77.17 -38.5 51.61 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.57 109.803 176.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1871 ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' 1867 ' ' THR . 81.8 mtp -64.71 -41.8 95.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 1.25 110.923 -177.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1872 ' ' VAL . . . . . 0.495 HG23 HG23 ' A' 1951 ' ' ILE . 11.3 p -63.65 -30.75 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 0.59 110.456 178.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 99.0 m -80.99 -55.19 4.95 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.143 -0.935 . . . . 0.44 111.258 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1874 ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 9.1 mmpt? -67.78 -28.13 67.35 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 113.068 0.766 . . . . 1.4 113.068 -172.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 7.2 p -57.9 -25.11 60.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.978 0.354 . . . . 1.11 111.777 -176.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -69.26 -54.15 16.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.053 -0.521 . . . . 0.76 111.623 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 1.9 p -100.99 -30.14 11.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.704 0.631 . . . . 1.32 112.704 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1878 ' ' SER . . . . . 0.488 ' HB2' ' HG2' ' A' 1881 ' ' GLU . 13.1 p -135.2 82.98 40.09 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.816 0.341 . . . . 1.17 111.13 -173.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.38 -23.67 37.8 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.549 2.166 . . . . 0.67 112.428 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.59 -23.19 61.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.325 -0.398 . . . . 2.24 111.337 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1881 ' ' GLU . . . . . 0.488 ' HG2' ' HB2' ' A' 1878 ' ' SER . 25.2 mm-40 -76.6 -10.45 59.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.961 0.41 . . . . 1.89 111.141 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1882 ' ' LEU . . . . . 0.441 HD12 HD12 ' A' 1937 ' ' LEU . 94.1 mt -69.27 -28.01 65.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 0.34 111.207 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1883 ' ' GLY . . . . . 0.405 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.68 -56.44 19.19 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.858 -0.687 . . . . 0.38 113.436 -177.15 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1884 ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' 1883 ' ' GLY . 19.3 Cg_endo -61.2 -32.32 90.58 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.258 1.972 . . . . 0.58 112.259 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.1 -41.79 63.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.373 -0.376 . . . . 0.37 110.913 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -59.52 -32.66 70.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.291 0.567 . . . . 0.36 109.737 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.08 -47.37 65.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.425 -0.807 . . . . 1.43 111.418 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -69.56 -42.66 74.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.567 -0.288 . . . . 1.07 110.905 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1889 ' ' LEU . . . . . 0.562 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 44.0 tp -54.48 -39.97 68.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 0.25 109.894 178.215 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 82.8 m -68.28 -49.09 62.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.541 -0.754 . . . . 0.28 111.731 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 72.9 p -67.14 -47.19 71.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.267 0.556 . . . . 1.17 111.29 -173.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -32.62 73.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.283 -0.871 . . . . 0.8 110.862 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1893 ' ' TYR . . . . . 0.429 ' CE2' HG23 ' A' 1831 ' ' ILE . 42.5 t80 -61.36 -42.44 98.71 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.98 0.419 . . . . 0.31 109.929 171.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.71 -29.37 61.29 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.613 -0.722 . . . . 0.31 112.351 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1895 ' ' ARG . . . . . 0.446 ' HB2' HG21 ' A' 1860 ' ' THR . 68.0 mtt180 -65.76 -48.73 70.87 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.398 0.618 . . . . 3.04 109.608 178.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1896 ' ' LEU . . . . . 0.591 HD21 ' HB ' ' A' 1860 ' ' THR . 40.6 mt -61.74 -38.84 89.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.618 -0.719 . . . . 0.86 110.754 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1897 ' ' ALA . . . . . 0.475 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -66.34 -26.12 67.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.752 -0.658 . . . . 0.49 111.942 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 7.6 p -91.92 -31.43 15.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.823 -0.351 . . . . 1.38 111.31 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -77.42 -30.16 53.35 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.805 0.298 . . . . 1.56 111.805 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.62 79.15 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.97 0.729 . . . . 0.34 112.97 -172.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1901 ' ' LYS . . . . . 0.645 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 56.4 mtpt -67.96 -53.59 19.66 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 120.865 -0.334 . . . . 2.27 111.725 -177.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1902 ' ' PRO . . . . . 0.645 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 45.0 Cg_exo -59.05 -34.65 99.01 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.975 1.784 . . . . 0.6 112.208 173.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.53 98.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.867 0.365 . . . . 0.39 110.695 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.15 84.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.638 . . . . 0.46 111.163 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 21.5 t -75.31 -29.55 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.974 -0.557 . . . . 1.26 110.759 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.25 -18.04 59.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.64 111.164 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -72.77 149.58 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.496 . . . . 0.85 110.69 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.45 -18.73 61.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.247 0.546 . . . . 2.67 110.803 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1909 ' ' ASN . . . . . 0.604 ' HB3' HG12 ' A' 1912 ' ' ILE . 44.9 t-20 -128.47 132.39 48.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.781 -0.645 . . . . 2.18 109.76 -174.003 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.54 -32.05 73.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.035 0.445 . . . . 2.24 110.281 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -65.78 -34.1 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.928 -0.578 . . . . 2.49 110.249 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1912 ' ' ILE . . . . . 0.604 HG12 ' HB3' ' A' 1909 ' ' ASN . 36.1 mm -66.33 -42.44 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.057 -0.52 . . . . 0.89 109.612 176.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.48 -44.88 97.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.902 -0.666 . . . . 0.51 111.902 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.74 94.47 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.308 0.575 . . . . 0.46 110.236 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1915 ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -59.78 -37.05 77.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.077 -0.965 . . . . 1.62 110.803 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1916 ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' 1912 ' ' ILE . 92.3 mt -67.78 -54.85 19.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.4 111.054 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1917 ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.6 ptpt -67.22 -31.56 72.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 1.36 111.811 -174.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 36.4 m170 -68.02 -31.81 71.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 1.91 110.663 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1919 ' ' ARG . . . . . 0.718 ' HB3' HG22 ' A' 1964 ' ' VAL . 17.8 mmm180 -70.44 -31.47 68.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.321 -0.399 . . . . 2.55 110.761 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 22.0 t -71.9 -31.42 40.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.4 -0.364 . . . . 0.35 110.106 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1921 ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.4 mm-40 -57.72 -36.76 72.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.301 0.572 . . . . 1.22 109.923 175.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1922 ' ' GLU . . . . . 0.55 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 17.7 mm-40 -59.68 -49.36 78.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.175 -0.92 . . . . 1.49 111.22 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 15.3 mt -66.8 -32.01 73.02 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 109.256 -0.646 . . . . 0.67 109.256 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.94 -52.39 35.23 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.303 -0.951 . . . . 0.64 111.44 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -72.16 -33.95 68.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.652 0.263 . . . . 0.69 110.82 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1926 ' ' GLY . . . . . 0.478 ' HA3' HG22 ' A' 1957 ' ' VAL . . . -73.11 -54.38 7.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.989 -0.624 . . . . 0.25 112.189 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1927 ' ' CYS . . . . . 0.562 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 14.1 t -55.03 -49.99 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.991 0.517 . . . . 1.22 110.635 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 47.3 m -51.63 -52.44 47.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.948 0.404 . . . . 1.03 110.648 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.32 96.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 0.28 111.07 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1930 ' ' LEU . . . . . 0.498 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.44 -52.98 62.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.939 -0.573 . . . . 0.28 110.892 -177.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 23.6 m -66.41 -36.01 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.68 0.276 . . . . 0.26 110.898 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 100.0 m -63.56 -46.51 85.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.137 0.494 . . . . 0.8 110.367 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1933 ' ' LYS . . . . . 0.46 ' HE3' HG23 ' A' 1946 ' ' THR . 37.1 tptt -67.09 -39.34 86.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.831 -0.622 . . . . 1.27 110.286 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.33 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.3 111.272 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.22 -44.08 97.59 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.681 -0.771 . . . . 0.4 111.879 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -78.0 -29.67 49.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.691 0.281 . . . . 0.5 111.36 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1937 ' ' LEU . . . . . 0.441 HD12 HD12 ' A' 1882 ' ' LEU . 3.2 tm? -69.07 -37.42 78.49 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 109.825 -0.435 . . . . 0.41 109.825 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -71.63 -24.81 61.94 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.909 0.385 . . . . 1.06 110.779 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.5 t -72.01 -29.7 64.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.277 -0.42 . . . . 1.43 109.949 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 15.4 m -136.66 65.33 54.01 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.8 110.399 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.83 -14.36 41.26 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.415 2.076 . . . . 0.69 112.723 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 74.3 m -84.39 -14.29 49.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.84 -0.618 . . . . 1.54 111.252 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.12 127.33 32.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.831 0.348 . . . . 1.16 110.124 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 35.1 t -79.55 -40.59 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.25 -0.432 . . . . 1.33 111.341 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1945 ' ' TYR . . . . . 0.405 ' O ' ' HG3' ' A' 1949 ' ' GLU . 35.0 t80 -64.89 -45.09 87.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.355 -0.384 . . . . 1.91 111.253 -173.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1946 ' ' THR . . . . . 0.46 HG23 ' HE3' ' A' 1933 ' ' LYS . 28.7 m -59.69 -41.7 91.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.062 0.458 . . . . 0.6 110.853 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1947 ' ' LYS . . . . . 0.408 ' HB2' HD21 ' A' 1937 ' ' LEU . 36.7 ttpt -68.57 -42.76 77.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 1.2 110.213 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 61.8 tttp -52.98 -44.06 66.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.471 -0.786 . . . . 2.67 110.65 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1949 ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' 1945 ' ' TYR . 42.9 mt-10 -66.48 -45.79 78.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.931 -0.577 . . . . 1.53 110.999 177.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.98 -42.99 99.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.465 -0.334 . . . . 0.31 111.209 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1951 ' ' ILE . . . . . 0.538 ' O ' ' HG3' ' A' 1955 ' ' ARG . 84.5 mt -56.08 -43.64 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.964 0.412 . . . . 0.35 110.075 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1952 ' ' GLU . . . . . 0.587 ' O ' ' HG3' ' A' 1956 ' ' ARG . 23.0 mm-40 -64.58 -43.17 94.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.959 -0.564 . . . . 2.11 110.866 177.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1953 ' ' CYS . . . . . 0.521 ' O ' HG23 ' A' 1957 ' ' VAL . 70.9 m -57.1 -45.35 83.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.88 110.557 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.45 98.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.25 111.163 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1955 ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' 1951 ' ' ILE . 79.7 mtp180 -57.7 -43.79 85.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 3.21 110.923 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1956 ' ' ARG . . . . . 0.623 ' O ' ' HG2' ' A' 1960 ' ' LYS . 69.2 mtp180 -66.48 -42.17 87.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 3.16 111.033 -177.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1957 ' ' VAL . . . . . 0.771 ' HB ' HG21 ' A' 1868 ' ' VAL . 57.4 t -61.39 -40.5 86.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.779 0.323 . . . . 0.3 110.352 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 19.2 m -59.07 -38.48 79.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 1.13 110.776 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1959 ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' 1955 ' ' ARG . 74.9 mt-10 -67.82 -37.96 82.64 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.24 0.543 . . . . 1.86 110.449 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1960 ' ' LYS . . . . . 0.643 ' O ' HG23 ' A' 1964 ' ' VAL . 74.4 mmtt -62.15 -41.79 98.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.716 -0.674 . . . . 0.65 110.792 -178.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1961 ' ' VAL . . . . . 0.808 HG11 ' HB2' ' A' 1865 ' ' ALA . 46.8 t -53.17 -48.8 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 123.734 0.646 . . . . 0.27 111.639 -176.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 16.8 t -59.91 -36.32 76.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 1.3 110.482 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1963 ' ' HIS . . . . . 0.45 ' HB2' ' NH2' ' A' 1919 ' ' ARG . 35.7 m170 -76.25 -26.46 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.508 -0.314 . . . . 1.11 110.849 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1964 ' ' VAL . . . . . 0.718 HG22 ' HB3' ' A' 1919 ' ' ARG . 48.7 t -72.14 -45.14 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.666 -0.494 . . . . 0.35 109.666 174.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1965 ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' A' 1969 ' ' GLN . 73.9 mt -57.71 -47.7 81.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 0.35 110.531 176.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.49 70.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.71 -0.677 . . . . 0.4 111.503 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1967 ' ' ALA . . . . . 0.647 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -62.55 -44.59 95.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.509 -0.314 . . . . 0.46 110.63 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1968 ' ' LEU . . . . . 0.642 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -64.92 -40.11 94.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.051 -0.522 . . . . 0.5 110.248 176.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1969 ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' 1965 ' ' LEU . 31.3 mm-40 -60.62 -28.5 68.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 1.7 111.1 -178.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.93 111.327 -178.786 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 111.62 -0.592 . . . . 21.55 111.62 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1810 ' ' ILE . . . . . 0.493 HD13 ' H ' ' A' 1810 ' ' ILE . 0.2 OUTLIER -73.7 -28.8 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.034 0.417 . . . . 20.33 110.311 176.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 68.4 m-20 55.8 83.26 0.23 Allowed Pre-proline 0 N--CA 1.464 0.255 0 CA-C-N 115.411 -0.813 . . . . 19.2 112.024 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -86.76 148.78 8.47 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.056 2.504 . . . . 18.2 111.365 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -109.27 98.78 8.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.01 0.433 . . . . 20.33 110.148 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 4.7 m -76.98 90.58 3.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.728 -0.669 . . . . 16.69 110.183 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 65.1 t30 -92.5 68.0 4.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.284 0.564 . . . . 16.15 109.646 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -90.76 136.67 32.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.604 -0.725 . . . . 14.41 110.039 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . 66.42 -80.32 0.03 OUTLIER 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.907 0.754 . . . . 12.08 111.198 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -173.47 160.11 3.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.467 -0.333 . . . . 10.45 110.281 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 7.7 m -72.08 -42.29 66.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.516 0.674 . . . . 8.54 109.221 173.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -149.76 -48.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.025 -0.989 . . . . 6.8 109.618 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -130.05 138.58 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.731 -0.668 . . . . 4.72 109.845 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -74.03 -32.99 57.98 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.986 -0.626 . . . . 3.52 111.951 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 35.7 m -84.23 -170.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.619 0.247 . . . . 2.13 110.46 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.677 HG13 ' HE2' ' A' 1827 ' ' MET . 55.2 t -74.37 99.83 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.666 0.746 . . . . 1.83 110.934 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -146.94 157.67 27.49 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 114.535 -1.211 . . . . 2.1 110.795 175.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 91.68 -62.27 2.68 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.887 -0.673 . . . . 0.91 111.964 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.677 ' HE2' HG13 ' A' 1824 ' ' VAL . 25.7 ptt? -69.99 -13.67 62.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.852 0.358 . . . . 1.1 111.319 -178.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.1 p -66.73 -31.55 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.343 0.592 . . . . 0.74 109.553 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.73 -30.53 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.434 -0.803 . . . . 0.87 109.96 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 45.9 m -63.88 -36.91 85.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.578 -0.737 . . . . 0.97 110.876 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' 1835 ' ' ILE . 65.0 mt -66.96 -44.51 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.027 0.441 . . . . 0.32 110.228 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 31.7 m -61.91 -35.21 77.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.272 0.558 . . . . 0.61 110.416 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -66.08 -41.64 90.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.842 -0.617 . . . . 2.49 110.232 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' A' 1837 ' ' GLN . . . -62.0 -34.12 75.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.989 -0.551 . . . . 0.34 111.05 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1835 ' ' ILE . . . . . 0.404 HD11 ' C ' ' A' 1924 ' ' GLY . 62.0 mt -64.96 -48.34 84.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.121 -0.49 . . . . 0.49 110.423 175.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -66.65 -40.38 88.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.72 111.832 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1837 ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.2 pt20 -62.5 -34.08 76.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 1.0 110.996 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 98.1 mt -76.34 -35.14 58.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.66 0.266 . . . . 0.79 110.759 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -57.03 -29.45 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 1.79 110.337 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.22 -57.65 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.363 -0.835 . . . . 3.25 110.777 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 156.71 -172.02 34.33 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.43 -0.89 . . . . 1.73 112.692 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1842 ' ' PRO . . . . . 0.721 ' HB2' ' HB ' ' A' 1905 ' ' VAL . 5.7 Cg_exo -80.28 157.53 22.86 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.464 2.776 . . . . 2.43 112.492 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1843 ' ' MET . . . . . 0.661 ' H ' ' HB3' ' A' 1901 ' ' LYS . 15.4 tpt -75.76 -62.68 1.51 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.205 -0.452 . . . . 5.03 110.585 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1844 ' ' GLY . . . . . 0.565 ' HA2' HG21 ' A' 1905 ' ' VAL . . . 114.27 174.5 18.56 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.608 -0.806 . . . . 1.86 111.952 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 38.8 t70 53.39 71.53 1.38 Allowed Pre-proline 0 C--N 1.328 -0.336 0 C-N-CA 122.934 0.494 . . . . 3.08 111.14 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -76.43 137.69 18.91 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.43 2.086 . . . . 1.21 111.816 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -78.04 -16.86 57.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 2.82 110.786 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -147.29 -169.88 15.07 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 111.325 -0.71 . . . . 1.14 111.325 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1849 ' ' SER . . . . . 0.436 ' HB2' HG12 ' A' 1851 ' ' VAL . 15.0 m -79.43 170.5 16.51 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.609 -0.515 . . . . 1.64 109.609 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' 1916 ' ' ILE . 57.2 t80 -54.99 -38.93 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.68 110.595 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1851 ' ' VAL . . . . . 0.653 ' HB ' ' HA ' ' A' 1973 ' ' ARG . 7.5 p -58.02 -33.45 46.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.068 -0.515 . . . . 0.79 112.07 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -69.25 -44.39 72.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.031 0.443 . . . . 1.71 110.514 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 80.2 m-85 -73.42 -33.4 64.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.106 -0.497 . . . . 1.07 110.555 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.735 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 30.8 tt0 -55.03 -57.23 12.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 0.99 110.505 173.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.53 ' O ' ' HG3' ' A' 1859 ' ' ARG . 10.5 p -62.98 -30.33 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.484 -0.78 . . . . 1.46 111.457 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 44.1 m -69.37 -49.1 58.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.739 0.304 . . . . 0.42 110.675 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.409 ' SD ' ' HA ' ' A' 1900 ' ' ALA . 67.9 mtp -65.13 -41.94 94.36 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.132 0.419 . . . . 0.71 112.132 -176.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.694 ' O ' ' HG3' ' A' 1862 ' ' LYS . 29.1 m -61.89 -32.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.456 -0.498 . . . . 0.29 110.809 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' 1855 ' ' THR . 96.4 mtt180 -66.98 -46.76 73.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.712 0.292 . . . . 3.02 110.503 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.487 ' HB ' HD21 ' A' 1896 ' ' LEU . 2.6 m -68.1 -31.92 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.374 -0.376 . . . . 0.35 110.79 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.548 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.97 -45.33 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.25 110.525 176.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' A' 1858 ' ' VAL . 84.1 mttt -63.75 -28.25 69.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.107 0.48 . . . . 1.31 110.183 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1863 ' ' ALA . . . . . 0.417 ' O ' HG12 ' A' 1866 ' ' VAL . . . -72.45 -38.3 68.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.41 111.37 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.739 HD11 HG22 ' A' 1961 ' ' VAL . 1.7 pp -76.96 -26.47 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.374 -0.53 . . . . 0.28 109.767 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.632 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -66.65 -38.86 87.74 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.809 -0.632 . . . . 0.2 111.395 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' 1863 ' ' ALA . 13.0 p -71.54 -30.46 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.694 -0.403 . . . . 0.73 110.254 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.562 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.7 m -67.27 -53.53 29.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.25 110.744 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.727 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.8 p -62.05 -37.21 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 0.28 111.157 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.418 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -68.97 -26.1 64.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.292 0.568 . . . . 0.91 109.838 179.156 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.6 tp10 -77.28 -38.4 50.86 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.696 -0.483 . . . . 0.57 109.696 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' 1867 ' ' THR . 83.0 mtp -64.16 -42.22 96.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 1.25 111.117 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' 1869 ' ' GLN . 11.6 p -62.54 -31.34 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.459 0.647 . . . . 0.59 110.57 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 98.1 m -81.09 -51.15 8.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.238 -0.892 . . . . 0.44 111.083 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 6.0 mmpt? -63.48 -25.96 68.5 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 112.538 0.57 . . . . 1.4 112.538 -175.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 33.5 p -61.43 -24.51 66.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.152 0.501 . . . . 1.11 111.307 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -80.5 -32.18 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.9 -0.591 . . . . 0.76 111.685 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 16.5 p -109.3 -45.73 3.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.281 0.562 . . . . 1.32 112.466 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 60.5 m -131.66 88.83 41.56 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.702 -0.681 . . . . 1.17 110.874 -168.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.99 -21.57 32.22 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.555 2.17 . . . . 0.67 112.842 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1880 ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' 1880 ' ' GLU . 0.5 OUTLIER -86.01 -14.98 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 2.24 110.86 -178.155 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -80.88 -9.95 59.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 1.89 110.712 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.472 HD12 HD12 ' A' 1937 ' ' LEU . 98.4 mt -69.04 -33.74 74.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 0.34 111.22 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1883 ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.17 -55.4 28.1 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.102 -0.57 . . . . 0.38 113.437 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' 1883 ' ' GLY . 16.8 Cg_endo -60.2 -30.85 92.17 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.329 2.019 . . . . 0.58 112.613 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.98 -41.37 51.5 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 121.183 -0.207 . . . . 0.37 110.553 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1886 ' ' ALA . . . . . 0.52 ' HB3' HG21 ' A' 1824 ' ' VAL . . . -58.63 -35.75 72.98 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.59 -0.522 . . . . 0.36 109.59 173.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -65.9 -40.66 91.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.557 -0.747 . . . . 1.43 110.087 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -68.36 -44.12 75.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.264 -0.88 . . . . 1.07 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.576 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 33.7 tp -60.75 -40.26 91.8 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.437 -0.579 . . . . 0.25 109.437 176.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1890 ' ' THR . . . . . 0.43 HG21 ' HB2' ' A' 1827 ' ' MET . 55.8 m -65.33 -45.69 83.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.424 -0.807 . . . . 0.28 111.669 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 68.7 p -70.46 -50.87 33.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 1.17 111.528 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.449 ' HB3' HG22 ' A' 1864 ' ' ILE . 21.9 m-20 -58.02 -41.14 82.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.189 -0.459 . . . . 0.8 111.266 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.28 -41.27 98.98 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.858 -0.337 . . . . 0.31 110.437 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.95 -39.31 88.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.96 -0.638 . . . . 0.31 111.847 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -67.86 -43.48 79.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.411 0.148 . . . . 3.04 110.795 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.487 HD21 ' HB ' ' A' 1860 ' ' THR . 8.9 mt -60.25 -41.26 92.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.272 . . . . 0.86 111.263 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.35 -25.85 68.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.244 -0.435 . . . . 0.49 111.096 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 32.9 t -81.75 -36.1 28.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 1.38 110.071 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.401 ' O ' ' HD2' ' A' 1902 ' ' PRO . 53.6 mt-30 -77.51 -24.89 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.713 -0.676 . . . . 1.56 111.727 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1900 ' ' ALA . . . . . 0.409 ' HA ' ' SD ' ' A' 1857 ' ' MET . . . -65.3 -36.22 83.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.264 -0.425 . . . . 0.34 112.119 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.687 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 85.4 mttt -62.97 -53.99 50.59 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 112.1 0.408 . . . . 2.27 112.1 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.687 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 34.8 Cg_exo -61.07 -29.74 88.05 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.155 1.903 . . . . 0.6 112.302 176.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -69.05 -47.37 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.821 0.343 . . . . 0.39 110.634 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.86 94.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.46 111.446 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.721 ' HB ' ' HB2' ' A' 1842 ' ' PRO . 8.2 p -76.01 -25.2 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.395 . . . . 1.26 111.696 -178.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.63 -13.51 60.05 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.237 0.541 . . . . 0.64 110.687 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -76.57 143.63 40.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.565 -0.743 . . . . 0.85 110.44 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1908 ' ' GLU . . . . . 0.533 ' CD ' ' HB2' ' A' 1972 ' ' ASN . 0.0 OUTLIER -90.02 7.69 36.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.786 -0.643 . . . . 2.67 110.552 -177.237 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.481 ' HB3' HG12 ' A' 1912 ' ' ILE . 50.0 t-20 -143.35 129.01 19.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.729 -0.669 . . . . 2.18 109.544 -176.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.3 -41.27 96.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 2.24 110.121 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1911 ' ' GLU . . . . . 0.618 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.0 OUTLIER -61.5 -25.1 67.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.41 -0.359 . . . . 2.49 111.464 179.711 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.481 HG12 ' HB3' ' A' 1909 ' ' ASN . 46.5 mm -80.15 -47.23 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.58 0.228 . . . . 0.89 110.504 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.94 96.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.555 -0.831 . . . . 0.51 111.71 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1914 ' ' ALA . . . . . 0.5 ' HA ' ' CD ' ' A' 1917 ' ' LYS . . . -65.58 -26.13 67.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.228 0.537 . . . . 0.46 110.58 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.618 ' HB2' ' O ' ' A' 1911 ' ' GLU . 2.1 t-80 -71.96 -39.22 69.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 1.62 109.814 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' 1850 ' ' PHE . 88.8 mt -68.14 -55.03 17.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.627 -0.715 . . . . 0.4 111.083 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' 1921 ' ' GLN . 19.2 ptmt -58.14 -38.58 76.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 1.36 111.334 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1918 ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' 1922 ' ' GLU . 20.9 t-80 -70.36 -28.57 65.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.611 -0.268 . . . . 1.91 110.772 -177.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.662 ' HB3' HG22 ' A' 1964 ' ' VAL . 52.2 mmt-85 -74.65 -33.13 62.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.847 0.356 . . . . 2.55 110.461 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 13.9 t -71.22 -27.16 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.319 -0.623 . . . . 0.35 109.319 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' 1917 ' ' LYS . 12.4 mm100 -65.56 -42.46 91.83 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.947 -0.57 . . . . 1.22 109.465 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' 1918 ' ' HIS . 39.3 mm-40 -52.51 -50.56 62.54 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.749 -0.66 . . . . 1.49 109.686 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' 1923 ' ' LEU . 16.9 mt -61.98 -40.69 96.48 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.135 -0.939 . . . . 0.67 111.111 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1924 ' ' GLY . . . . . 0.404 ' C ' HD11 ' A' 1835 ' ' ILE . . . -55.46 -49.48 64.44 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.015 -0.612 . . . . 0.64 112.314 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -63.78 -40.21 96.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.857 0.36 . . . . 0.69 110.66 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.29 -51.48 13.2 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.806 -0.711 . . . . 0.25 112.107 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.576 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 35.0 t -53.87 -49.04 69.37 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.857 0.463 . . . . 1.22 110.628 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.8 t -55.62 -46.89 77.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.52 -0.764 . . . . 1.03 110.707 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.17 89.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 0.28 110.97 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.583 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -62.93 -47.84 81.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.476 -0.329 . . . . 0.28 110.603 -177.777 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.58 ' HB ' HG11 ' A' 1824 ' ' VAL . 23.7 m -68.99 -35.67 70.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.732 -0.387 . . . . 0.26 111.663 -175.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 15.1 t -72.66 -30.34 64.19 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.421 -0.511 . . . . 0.8 110.38 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -69.82 -41.35 75.09 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 110.297 -0.26 . . . . 1.27 110.297 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.28 91.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.46 -0.336 . . . . 0.3 110.57 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.73 -52.08 55.12 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.702 -0.761 . . . . 0.4 111.668 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.09 -26.75 66.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.715 0.293 . . . . 0.5 111.601 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.472 HD12 HD12 ' A' 1882 ' ' LEU . 2.8 tm? -74.32 -37.31 63.63 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.823 -0.436 . . . . 0.41 109.823 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -69.4 -26.13 64.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.97 0.414 . . . . 1.06 111.108 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 72.7 m -67.74 -30.58 70.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.985 -0.552 . . . . 1.43 110.523 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.1 m -150.25 78.35 7.9 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.207 -0.451 . . . . 0.8 110.036 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.98 -15.52 27.93 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.384 2.723 . . . . 0.69 112.593 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 47.6 t -82.85 -20.82 34.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.524 -0.762 . . . . 1.54 111.506 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 24.5 t70 -73.76 108.67 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.131 0.491 . . . . 1.16 110.858 -174.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 13.0 m -65.79 -35.87 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.662 -0.699 . . . . 1.33 112.133 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.447 ' O ' ' HG3' ' A' 1949 ' ' GLU . 48.9 t80 -63.08 -48.45 78.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.734 -0.212 . . . . 1.91 111.117 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 57.3 m -59.19 -42.47 90.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.02 0.438 . . . . 0.6 110.621 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.449 ' O ' HG13 ' A' 1951 ' ' ILE . 38.7 ttpt -64.09 -40.14 95.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.851 -0.613 . . . . 1.2 110.324 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.77 -42.55 97.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.963 -0.562 . . . . 2.67 110.824 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 1945 ' ' TYR . 45.0 mt-10 -61.76 -39.91 93.31 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.338 -0.392 . . . . 1.53 110.218 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.64 -41.74 99.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.31 110.527 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' 1947 ' ' LYS . 83.9 mt -60.86 -42.63 93.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.926 -0.398 . . . . 0.35 109.926 176.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' A' 1956 ' ' ARG . 62.8 mm-40 -60.51 -49.61 76.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.17 -0.468 . . . . 2.11 110.231 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.585 ' O ' HG23 ' A' 1957 ' ' VAL . 72.3 m -57.27 -46.38 83.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.919 -0.582 . . . . 0.88 111.047 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -58.47 -45.01 89.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.979 0.418 . . . . 0.25 111.028 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' 1959 ' ' GLU . 99.5 mtt180 -59.22 -47.63 84.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.045 -0.525 . . . . 3.21 110.397 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' 1952 ' ' GLU . 95.9 mtt180 -58.35 -42.22 86.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 3.16 111.026 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.727 ' HB ' HG21 ' A' 1868 ' ' VAL . 62.0 t -63.07 -53.79 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.3 110.57 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.1 t -58.33 -37.91 76.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 1.13 110.915 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' 1955 ' ' ARG . 50.3 mt-10 -62.68 -45.16 94.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.165 0.507 . . . . 1.86 110.783 177.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.558 ' O ' HG23 ' A' 1964 ' ' VAL . 31.6 mmtp -69.59 -27.31 64.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.65 111.86 -175.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.739 HG22 HD11 ' A' 1864 ' ' ILE . 42.4 t -54.23 -44.13 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 120.893 0.378 . . . . 0.27 110.229 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 35.3 t -61.1 -39.47 90.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.742 -0.663 . . . . 1.3 110.495 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 74.8 m80 -66.8 -38.3 86.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 1.11 110.292 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.662 HG22 ' HB3' ' A' 1919 ' ' ARG . 48.5 t -63.84 -52.58 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.35 110.191 177.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 86.6 mt -54.34 -48.82 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.732 -0.667 . . . . 0.35 111.382 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.47 -24.38 67.6 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.143 0.424 . . . . 0.4 112.143 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -70.26 -25.2 63.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.694 0.283 . . . . 0.46 111.366 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.735 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.1 mm? -73.67 -43.35 59.63 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.853 0.686 . . . . 0.5 112.853 -174.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -65.85 -14.75 62.04 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.458 0.54 . . . . 1.7 112.458 -172.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -77.7 -7.15 56.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.711 0.291 . . . . 0.93 111.495 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -99.01 -173.27 31.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.916 -0.659 . . . . 2.0 113.403 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1972 ' ' ASN . . . . . 0.533 ' HB2' ' CD ' ' A' 1908 ' ' GLU . 42.3 t-20 -68.44 111.43 4.67 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.102 0.561 . . . . 5.01 111.562 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1973 ' ' ARG . . . . . 0.653 ' HA ' ' HB ' ' A' 1851 ' ' VAL . 54.8 mtp180 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.373 -0.822 . . . . 7.5 109.259 170.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.539 -0.624 . . . . 21.55 111.539 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 2.5 pp -85.25 -12.06 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.834 0.317 . . . . 20.33 111.67 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -134.86 97.92 13.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.34 -0.391 . . . . 19.2 110.388 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -86.12 107.53 0.87 Allowed 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.21 2.607 . . . . 18.2 112.062 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 38.5 p90 -78.35 -23.75 46.79 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.727 -0.472 . . . . 20.33 109.727 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 27.7 m -74.86 112.97 11.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 16.69 109.837 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -62.85 -31.19 72.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.96 -0.564 . . . . 16.15 111.811 -174.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -80.48 -11.05 59.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.379 -0.373 . . . . 14.41 111.55 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -90.12 -17.39 27.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.927 0.394 . . . . 12.08 110.856 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -89.37 167.44 13.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.541 . . . . 10.45 110.63 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 39.0 m -114.89 60.08 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.374 -0.376 . . . . 8.54 110.112 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 61.7 -170.11 0.17 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.876 -0.602 . . . . 6.8 111.277 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -135.47 5.46 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 4.72 110.519 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 86.44 -37.01 3.16 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 111.672 -0.571 . . . . 3.52 111.672 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1823 ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' 1824 ' ' VAL . 7.2 p -147.75 132.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.0 -0.37 . . . . 2.13 110.0 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.907 HG23 ' HE2' ' A' 1827 ' ' MET . 1.7 p 55.08 17.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.909 0.884 . . . . 1.83 113.133 173.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -61.47 -58.12 14.77 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.373 -0.441 . . . . 2.1 113.587 -174.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -74.03 -25.39 71.47 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 120.709 -0.758 . . . . 0.91 111.218 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.907 ' HE2' HG23 ' A' 1824 ' ' VAL . 50.1 mtp -67.14 -47.45 71.03 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.69 -0.755 . . . . 1.1 110.944 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.3 p -66.9 -27.27 39.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.117 0.484 . . . . 0.74 110.143 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.8 -47.96 70.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.814 -0.63 . . . . 0.87 110.337 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.8 m -54.94 -41.26 70.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 0.97 110.627 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.428 ' O ' HG13 ' A' 1835 ' ' ILE . 71.6 mt -63.05 -48.29 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.32 110.425 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 63.2 m -61.1 -44.62 97.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 0.61 111.624 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -67.37 -34.31 77.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.949 0.404 . . . . 2.49 110.518 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -64.62 -27.94 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 0.34 110.953 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1835 ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' 1831 ' ' ILE . 72.5 mt -70.84 -47.64 61.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.997 -0.547 . . . . 0.49 110.317 175.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -55.92 -51.56 67.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.808 -0.633 . . . . 0.72 112.064 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -55.86 -35.98 67.07 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.411 0.523 . . . . 1.0 112.411 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 94.5 mt -74.59 -31.59 62.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.728 0.299 . . . . 0.79 111.329 -175.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.8 -31.22 61.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.576 -0.527 . . . . 1.79 109.576 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.82 -41.36 97.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.543 -0.753 . . . . 3.25 110.451 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 142.45 -174.12 23.54 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.507 -0.854 . . . . 1.73 112.835 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -82.28 -168.11 0.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.776 2.318 . . . . 2.43 112.01 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 51.1 ttm -115.18 -69.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.846 0.355 . . . . 5.03 110.08 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1844 ' ' GLY . . . . . 0.563 ' HA2' HG11 ' A' 1905 ' ' VAL . . . 125.05 161.84 11.17 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.758 -0.734 . . . . 1.86 111.75 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 31.5 t70 56.52 75.41 0.58 Allowed Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 121.381 0.61 . . . . 3.08 110.823 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -74.01 149.8 42.31 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.213 1.942 . . . . 1.21 111.651 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.99 -37.76 88.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.269 0.557 . . . . 2.82 110.419 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -128.15 -148.84 6.88 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.291 -0.724 . . . . 1.14 111.291 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 17.7 m -98.22 -178.71 4.13 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.622 -0.51 . . . . 1.64 109.622 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 78.3 t80 -60.15 -41.28 92.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.556 -0.293 . . . . 0.68 110.568 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 10.6 p -59.14 -33.72 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.464 -0.334 . . . . 0.79 111.288 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.16 -46.88 75.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.199 0.523 . . . . 1.71 110.4 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -73.68 -36.65 65.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.98 -0.555 . . . . 1.07 110.879 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.658 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.8 tt0 -54.78 -55.41 30.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.334 -0.393 . . . . 0.99 110.67 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 13.2 p -61.57 -39.12 90.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.051 -0.522 . . . . 1.46 111.232 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 28.2 m -69.57 -34.26 73.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.029 0.442 . . . . 0.42 110.696 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 82.5 mtp -75.2 -47.32 28.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.639 -0.255 . . . . 0.71 111.425 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -62.53 -36.91 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.47 -0.492 . . . . 0.29 110.788 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -63.28 -48.15 79.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 3.02 110.815 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.472 ' O ' HG23 ' A' 1864 ' ' ILE . 44.8 m -67.05 -38.16 85.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.959 -0.564 . . . . 0.35 111.062 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.577 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.37 -48.52 77.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.664 0.268 . . . . 0.25 110.643 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' 1858 ' ' VAL . 55.4 mtmt -62.11 -26.06 68.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.729 0.299 . . . . 1.31 111.017 175.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -73.67 -46.03 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.568 -0.287 . . . . 0.41 110.904 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.683 HD11 HG22 ' A' 1961 ' ' VAL . 1.6 pp -68.81 -25.56 30.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.35 . . . . 0.28 110.084 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.669 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -64.09 -37.06 86.09 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 115.978 -0.556 . . . . 0.2 110.621 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 59.2 t -65.86 -37.43 79.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 0.73 109.852 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 60.6 m -64.01 -46.15 85.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 0.25 111.075 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.865 HG21 ' HB ' ' A' 1957 ' ' VAL . 7.1 p -74.12 -29.78 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.723 0.297 . . . . 0.28 111.224 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -73.25 -26.71 61.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.331 0.586 . . . . 0.91 109.445 176.402 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.1 tp10 -76.46 -33.13 58.72 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.436 -0.579 . . . . 0.57 109.436 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.532 ' SD ' HD22 ' A' 1882 ' ' LEU . 3.7 mmt -53.52 -56.04 20.36 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.206 -0.452 . . . . 1.25 111.448 176.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.656 HG23 HG23 ' A' 1951 ' ' ILE . 11.1 p -60.15 -34.95 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.502 0.667 . . . . 0.59 110.968 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 53.9 m -75.09 -48.38 24.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.18 -0.918 . . . . 0.44 111.095 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.867 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -70.58 -28.1 64.62 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 116.351 -0.386 . . . . 1.4 111.662 -177.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.408 ' HA ' HD11 ' A' 1882 ' ' LEU . 22.7 t -61.89 -27.37 68.76 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.131 0.491 . . . . 1.11 110.345 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -81.61 -35.46 30.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.705 -0.679 . . . . 0.76 111.71 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 24.0 p -109.59 -35.63 6.17 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.878 1.066 . . . . 1.32 113.878 -171.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1878 ' ' SER . . . . . 0.426 ' HA ' ' HD2' ' A' 1879 ' ' PRO . 75.2 m -148.62 89.16 5.11 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.802 0.334 . . . . 1.17 111.363 -169.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' 1878 ' ' SER . 34.8 Cg_endo -64.36 -24.97 64.09 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.973 2.448 . . . . 0.67 112.782 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.2 -22.8 62.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 2.24 111.106 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.664 ' O ' ' HG ' ' A' 1885 ' ' LEU . 70.6 mm-40 -75.05 -21.89 58.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.432 -0.349 . . . . 1.89 110.754 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.532 HD22 ' SD ' ' A' 1871 ' ' MET . 90.2 mt -66.07 -35.83 81.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.521 . . . . 0.34 111.746 -173.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -58.58 -55.14 32.42 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.741 -0.743 . . . . 0.38 112.998 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' 1881 ' ' GLU . 49.2 Cg_exo -59.34 -39.06 80.78 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.679 2.253 . . . . 0.58 112.75 174.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' 1881 ' ' GLU . 68.6 mt -65.36 -41.08 94.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 110.306 -0.257 . . . . 0.37 110.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -55.34 -36.36 66.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.36 109.881 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1887 ' ' ASN . . . . . 0.636 ' HA ' ' HE3' ' A' 1827 ' ' MET . 17.6 t-20 -73.66 -43.76 58.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.042 -0.527 . . . . 1.43 111.475 -176.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.11 -37.11 80.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.847 0.356 . . . . 1.07 110.439 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.425 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 45.5 tp -64.31 -32.61 74.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.25 109.863 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1890 ' ' THR . . . . . 0.586 HG21 ' HB3' ' A' 1827 ' ' MET . 53.5 m -72.91 -49.54 28.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 0.28 111.459 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 81.0 p -70.55 -48.02 57.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.131 0.491 . . . . 1.17 111.007 -172.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.436 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.0 OUTLIER -64.94 -29.3 70.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 0.8 111.367 178.78 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 41.4 t80 -64.07 -42.81 96.85 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.889 -0.412 . . . . 0.31 109.889 172.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.24 -32.84 57.52 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.828 -0.624 . . . . 0.31 112.361 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -63.89 -53.88 43.5 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.369 -0.604 . . . . 3.04 109.369 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' 1861 ' ' ALA . 83.2 mt -57.26 -44.61 84.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.303 -0.862 . . . . 0.86 111.058 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1897 ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -60.19 -40.66 90.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.58 -0.736 . . . . 0.49 111.801 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 18.3 t -76.81 -38.07 54.58 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.955 -0.298 . . . . 1.38 110.72 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.55 ' O ' ' HD2' ' A' 1902 ' ' PRO . 71.1 mt-30 -68.22 -25.27 65.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.555 -0.293 . . . . 1.56 111.645 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.68 -25.64 64.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.34 111.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.839 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 1.5 mmmm -62.06 -55.55 39.85 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.097 -0.501 . . . . 2.27 111.297 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.839 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 11.1 Cg_exo -72.94 -29.66 11.87 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.2 1.933 . . . . 0.6 112.386 175.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.74 89.1 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.888 0.375 . . . . 0.39 110.71 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.4 90.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 0.46 111.533 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.563 HG11 ' HA2' ' A' 1844 ' ' GLY . 10.0 p -75.73 -24.8 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.827 0.346 . . . . 1.26 111.426 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.43 -10.76 58.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.025 0.44 . . . . 0.64 111.072 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -79.22 155.39 28.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.913 -0.585 . . . . 0.85 110.693 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -71.24 -66.66 0.59 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.052 0.453 . . . . 2.67 110.936 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.899 ' HB2' HG12 ' A' 1912 ' ' ILE . 42.2 m-80 -84.93 150.52 24.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.94 -0.573 . . . . 2.18 110.95 -176.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -63.54 -38.72 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.799 -0.445 . . . . 2.24 109.799 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.7 -40.75 66.28 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.269 -0.423 . . . . 2.49 110.987 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.899 HG12 ' HB2' ' A' 1909 ' ' ASN . 37.6 mm -62.99 -51.18 75.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.223 -0.444 . . . . 0.89 110.167 -177.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.73 -39.79 95.43 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.757 -0.735 . . . . 0.51 112.018 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.24 -40.7 94.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.936 0.398 . . . . 0.46 110.673 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' 1919 ' ' ARG . 30.8 m-70 -64.45 -47.51 78.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.208 -0.451 . . . . 1.62 110.539 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' 1912 ' ' ILE . 93.7 mt -56.36 -53.87 34.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.558 0.218 . . . . 0.4 111.328 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.656 ' O ' ' HG2' ' A' 1921 ' ' GLN . 16.7 ptpt -60.32 -38.97 85.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.402 -0.363 . . . . 1.36 110.93 -177.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 60.3 m170 -70.5 -30.12 66.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.699 0.285 . . . . 1.91 111.224 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.789 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 21.8 mmt85 -71.99 -31.48 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.415 -0.357 . . . . 2.55 110.658 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' 1897 ' ' ALA . 23.3 t -74.3 -27.52 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.717 -0.475 . . . . 0.35 109.717 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.656 ' HG2' ' O ' ' A' 1917 ' ' LYS . 10.4 mm100 -63.17 -38.88 92.9 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.182 -0.673 . . . . 1.22 109.182 172.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.921 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 13.6 mm-40 -56.02 -51.36 68.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.091 -0.959 . . . . 1.49 110.007 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.39 -41.24 93.41 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.316 -0.857 . . . . 0.67 110.823 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.44 -51.79 49.22 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.928 -0.653 . . . . 0.64 112.111 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -60.98 -46.23 91.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.967 0.413 . . . . 0.69 110.581 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.6 -50.68 41.3 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.729 -0.748 . . . . 0.25 112.637 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.425 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 27.4 t -56.7 -49.86 73.86 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.384 0.274 . . . . 1.22 110.713 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 20.3 m -50.9 -51.23 53.94 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.081 0.467 . . . . 1.03 110.622 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.26 -44.7 90.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.669 . . . . 0.28 111.469 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.53 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.83 -53.22 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.28 110.687 -177.08 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.576 ' HB ' HG21 ' A' 1824 ' ' VAL . 22.7 m -66.35 -29.45 46.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.26 111.111 -176.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 90.5 m -72.31 -43.32 64.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.99 -0.55 . . . . 0.8 110.825 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.906 ' HE3' HG23 ' A' 1946 ' ' THR . 36.4 tptt -68.93 -32.74 72.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.358 -0.383 . . . . 1.27 110.548 -176.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.08 87.19 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.289 -0.414 . . . . 0.3 111.495 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.46 93.88 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.769 . . . . 0.4 111.916 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.33 -31.91 62.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 0.5 110.86 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' 1937 ' ' LEU . 2.4 tm? -71.87 -32.35 67.39 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.767 -0.457 . . . . 0.41 109.767 -178.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -70.27 -25.64 63.45 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.662 -0.415 . . . . 1.06 110.749 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 75.7 m -76.06 -18.42 59.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 1.43 110.629 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.8 m -155.14 73.06 5.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.438 -0.578 . . . . 0.8 109.438 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.36 -17.48 60.26 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.905 2.404 . . . . 0.69 112.786 -174.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 19.4 m -91.08 -12.21 36.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.804 -0.634 . . . . 1.54 110.795 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.68 113.92 13.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 1.16 111.296 -174.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.5 m -68.16 -35.3 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 1.33 112.233 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.51 -54.65 44.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.851 0.358 . . . . 1.91 110.728 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.906 HG23 ' HE3' ' A' 1933 ' ' LYS . 26.4 m -62.05 -41.56 98.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.125 -0.489 . . . . 0.6 110.76 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.426 ' O ' HG13 ' A' 1951 ' ' ILE . 39.3 ttpt -63.24 -44.79 94.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.58 -0.737 . . . . 1.2 110.819 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.502 ' HE3' ' OE1' ' A' 1952 ' ' GLU . 27.5 ttpt -52.73 -50.58 63.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.039 -0.528 . . . . 2.67 111.138 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.488 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 17.4 mt-10 -64.86 -33.14 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.99 -0.55 . . . . 1.53 111.604 -175.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.54 -39.83 77.23 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.524 -0.547 . . . . 0.31 109.524 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.656 HG23 HG23 ' A' 1872 ' ' VAL . 82.6 mt -60.7 -38.67 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.892 -0.594 . . . . 0.35 109.701 174.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' A' 1956 ' ' ARG . 43.8 mt-10 -65.86 -47.16 75.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 2.11 110.413 174.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.531 ' O ' HG23 ' A' 1957 ' ' VAL . 98.6 m -56.41 -41.11 75.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.37 -0.377 . . . . 0.88 110.764 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.22 97.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 0.25 111.721 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' 1952 ' ' GLU . 14.0 ptm180 -74.42 -22.4 59.16 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.66 -0.416 . . . . 3.21 110.804 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' 1952 ' ' GLU . 79.3 mtt180 -72.76 -49.79 28.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 3.16 110.443 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.865 ' HB ' HG21 ' A' 1868 ' ' VAL . 80.5 t -62.55 -43.72 98.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.079 -0.51 . . . . 0.3 111.449 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 6.0 p -61.57 -31.62 71.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.334 . . . . 1.13 111.288 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' 1955 ' ' ARG . 58.3 mm-40 -70.37 -35.11 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.166 0.508 . . . . 1.86 110.857 176.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.921 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.4 mmtt -69.23 -36.85 77.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.99 -0.55 . . . . 0.65 110.46 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.683 HG22 HD11 ' A' 1864 ' ' ILE . 59.5 t -53.43 -52.24 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 O-C-N 123.46 0.475 . . . . 0.27 111.214 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.53 ' HA ' HD12 ' A' 1965 ' ' LEU . 15.7 m -60.18 -37.29 79.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 1.3 110.944 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.789 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 36.1 m80 -65.83 -35.77 81.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 1.11 110.787 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.631 HG22 ' HB3' ' A' 1919 ' ' ARG . 54.4 t -69.65 -45.97 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.939 0.399 . . . . 0.35 110.161 177.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' 1969 ' ' GLN . 61.8 mt -55.35 -47.85 75.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.592 . . . . 0.35 110.722 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -65.3 -25.85 67.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.8 -0.636 . . . . 0.4 111.721 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1967 ' ' ALA . . . . . 0.601 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -68.51 -39.98 81.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.46 110.32 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.658 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.3 mm? -64.71 -37.37 87.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.5 110.399 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1969 ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' 1965 ' ' LEU . 80.1 mm-40 -67.04 -14.97 63.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.884 -0.598 . . . . 1.7 111.38 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -80.21 -19.69 46.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.028 0.442 . . . . 0.93 110.833 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -93.8 171.61 31.8 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.815 -0.707 . . . . 2.0 112.034 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 65.4 t30 59.03 69.24 0.74 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.344 0.592 . . . . 5.01 109.672 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.436 -0.793 . . . . 7.5 110.044 -176.102 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.618 -0.593 . . . . 21.55 111.618 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 34.5 pt -96.21 37.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.908 0.385 . . . . 20.33 111.461 -176.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1811 ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' 1812 ' ' PRO . 20.4 t70 -77.93 114.34 40.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.446 -0.343 . . . . 19.2 110.351 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1812 ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' 1811 ' ' ASP . 83.0 Cg_endo -94.5 17.4 0.92 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.158 2.572 . . . . 18.2 113.064 -176.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 84.1 t80 58.35 85.84 0.09 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.455 0.645 . . . . 20.33 110.875 -177.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 2.9 m -140.99 32.5 1.76 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.654 0.74 . . . . 16.69 109.53 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 13.5 m120 -64.54 -70.21 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.159 -0.928 . . . . 16.15 111.311 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -97.25 -62.55 1.24 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.93 0.395 . . . . 14.41 110.282 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -157.32 140.2 15.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.74 -0.663 . . . . 12.08 110.247 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -95.1 -81.63 0.39 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.569 -0.287 . . . . 10.45 110.653 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 16.5 m -101.56 88.7 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.903 0.383 . . . . 8.54 110.328 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -159.8 126.97 4.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 6.8 110.705 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -74.81 -55.94 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.29 -0.414 . . . . 4.72 110.337 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 66.98 27.39 73.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.156 -0.545 . . . . 3.52 112.825 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 12.6 m -131.81 117.79 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.892 0.377 . . . . 2.13 110.777 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.59 ' HA ' ' SD ' ' A' 1827 ' ' MET . 60.2 t 75.53 -21.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.686 -0.688 . . . . 1.83 112.359 174.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -55.05 -43.66 83.19 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.191 -0.528 . . . . 2.1 112.716 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -84.34 -24.0 49.05 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.662 -0.78 . . . . 0.91 111.756 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.59 ' SD ' ' HA ' ' A' 1824 ' ' VAL . 39.2 mtp -69.12 -45.25 70.63 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.37 -0.415 . . . . 1.1 110.918 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.4 p -64.1 -25.97 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 0.74 110.898 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.64 -45.15 84.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.411 -0.359 . . . . 0.87 110.446 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.0 m -61.31 -37.82 84.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.97 110.411 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' 1835 ' ' ILE . 68.2 mt -65.15 -42.21 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.32 110.197 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 31.2 m -63.18 -47.95 80.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.997 -0.547 . . . . 0.61 111.058 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.14 -39.97 88.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.118 0.485 . . . . 2.49 110.458 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.533 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -60.24 -36.28 77.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.571 -0.741 . . . . 0.34 111.382 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1835 ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' 1831 ' ' ILE . 43.3 mt -67.19 -51.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.073 0.463 . . . . 0.49 110.493 176.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -64.83 -37.54 87.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.75 -0.659 . . . . 0.72 111.868 -172.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -64.14 -35.87 82.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.616 0.246 . . . . 1.0 111.35 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 97.5 mt -79.38 -32.33 43.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.79 110.875 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.69 -32.57 74.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.709 . . . . 1.79 110.831 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -68.42 -57.25 6.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.526 . . . . 3.25 111.132 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 166.31 168.23 28.17 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.269 -0.967 . . . . 1.73 112.768 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1842 ' ' PRO . . . . . 0.467 ' HB3' ' HB3' ' A' 1904 ' ' ALA . 72.9 Cg_endo -87.58 122.58 1.72 Allowed 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.94 2.427 . . . . 2.43 111.771 178.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 65.7 mtt -77.83 130.32 36.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.38 -0.373 . . . . 5.03 110.034 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1844 ' ' GLY . . . . . 0.691 ' HA2' HG21 ' A' 1905 ' ' VAL . . . -75.24 70.96 1.81 Allowed Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.763 -0.653 . . . . 1.86 113.134 -174.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -150.11 79.55 7.56 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 120.673 0.273 . . . . 3.08 110.566 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.404 ' HA ' ' HB3' ' A' 1902 ' ' PRO . 55.7 Cg_endo -92.76 127.8 0.77 Allowed 'Trans proline' 0 N--CA 1.45 -1.038 0 C-N-CA 122.521 2.147 . . . . 1.21 111.948 172.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -78.0 -25.12 47.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.262 0.553 . . . . 2.82 110.256 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -130.32 -162.91 10.9 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.769 -0.932 . . . . 1.14 110.769 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 31.5 m -94.81 172.67 8.02 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 117.135 0.468 . . . . 1.64 110.054 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.487 ' CE2' ' HA3' ' A' 1971 ' ' GLY . 88.6 t80 -56.32 -39.55 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.896 0.379 . . . . 0.68 110.92 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -61.62 -35.55 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.95 -0.568 . . . . 0.79 111.403 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.03 -50.98 52.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.968 0.413 . . . . 1.71 110.147 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.481 ' CZ ' ' HB2' ' A' 1902 ' ' PRO . 49.4 m-85 -61.57 -37.07 82.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.605 . . . . 1.07 111.172 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.667 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 46.4 tt0 -61.69 -54.4 43.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.622 -0.263 . . . . 0.99 110.708 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 28.5 m -57.05 -34.81 68.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.488 . . . . 1.46 110.763 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 56.3 m -74.36 -49.36 23.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.305 -0.407 . . . . 0.42 111.307 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.12 -35.8 81.93 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 112.03 0.381 . . . . 0.71 112.03 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.742 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.3 m -64.81 -35.93 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.869 -0.733 . . . . 0.29 110.027 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -66.89 -47.08 72.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.804 0.335 . . . . 3.02 110.266 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.459 ' HB ' HD21 ' A' 1896 ' ' LEU . 4.4 m -63.37 -36.15 82.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.479 . . . . 0.35 110.691 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' 1864 ' ' ILE . . . -65.4 -45.17 85.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.25 110.894 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.742 ' HG3' ' O ' ' A' 1858 ' ' VAL . 82.5 mttt -62.61 -32.63 73.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 1.31 110.171 177.018 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.59 95.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.41 111.278 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.718 HD11 HG22 ' A' 1961 ' ' VAL . 1.3 pp -75.75 -27.27 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.189 -0.604 . . . . 0.28 109.871 177.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.827 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.42 -37.74 74.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.25 -0.432 . . . . 0.2 111.481 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.563 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.9 p -73.63 -24.39 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.33 0.586 . . . . 0.73 109.875 176.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.554 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.5 m -69.92 -53.56 17.37 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.877 -0.601 . . . . 0.25 110.389 174.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' 1865 ' ' ALA . 2.6 p -62.64 -37.68 79.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.488 -0.324 . . . . 0.28 111.47 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.563 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.9 OUTLIER -64.43 -29.94 70.99 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.089 0.471 . . . . 0.91 109.795 178.201 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.86 -37.7 47.66 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 116.007 -0.542 . . . . 0.57 110.338 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.554 ' HG3' ' O ' ' A' 1867 ' ' THR . 86.9 mtp -63.66 -44.2 94.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.328 . . . . 1.25 110.94 -176.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' 1951 ' ' ILE . 7.8 p -62.61 -29.33 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.59 110.451 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 98.1 m -81.01 -55.12 4.99 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.104 -0.953 . . . . 0.44 111.085 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.455 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 6.8 mmpt? -59.0 -30.72 68.2 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.972 -0.558 . . . . 1.4 112.472 -174.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.409 ' OG ' HD22 ' A' 1950 ' ' LEU . 50.9 m -55.35 -23.98 26.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.127 0.489 . . . . 1.11 111.676 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -76.33 -39.74 53.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.001 -0.545 . . . . 0.76 111.529 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 41.6 p -109.48 -40.05 5.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.806 0.669 . . . . 1.32 112.806 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 69.0 m -133.35 95.65 18.01 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.202 -0.454 . . . . 1.17 110.975 -167.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -78.1 -18.09 13.06 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.564 2.176 . . . . 0.67 113.166 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.73 -14.28 35.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.813 -0.355 . . . . 2.24 110.872 -177.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -80.47 -10.74 59.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.033 0.444 . . . . 1.89 110.499 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.675 HD12 HD12 ' A' 1937 ' ' LEU . 96.1 mt -68.78 -37.72 79.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.995 -0.548 . . . . 0.34 111.08 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -60.87 -54.38 37.37 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-O 119.687 -0.507 . . . . 0.38 112.95 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.97 -41.73 62.2 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.82 2.347 . . . . 0.58 112.645 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 75.8 mt -69.84 -44.0 70.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.541 -0.299 . . . . 0.37 110.684 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -58.2 -32.42 68.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.087 0.47 . . . . 0.36 109.848 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -68.43 -47.08 68.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.685 . . . . 1.43 110.503 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -68.02 -44.66 76.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 1.07 110.737 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.49 ' HB2' HG21 ' A' 1867 ' ' THR . 48.0 tp -53.52 -40.15 65.2 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.374 0.607 . . . . 0.25 109.818 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 7.3 m -61.79 -54.23 45.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.89 -1.05 . . . . 0.28 111.71 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 19.6 m -70.9 -38.66 73.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.139 -0.482 . . . . 1.17 111.998 -173.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.466 ' HB3' HG22 ' A' 1864 ' ' ILE . 2.7 m-20 -69.39 -29.77 67.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.86 -0.336 . . . . 0.8 110.693 177.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1893 ' ' TYR . . . . . 0.422 ' CE2' HG23 ' A' 1831 ' ' ILE . 28.3 t80 -64.66 -46.07 84.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.899 -0.32 . . . . 0.31 110.141 173.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.96 -34.12 61.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.999 -0.619 . . . . 0.31 111.953 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 81.9 mtt180 -66.32 -48.78 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.188 -0.301 . . . . 3.04 110.188 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.459 HD21 ' HB ' ' A' 1860 ' ' THR . 12.6 mt -56.93 -48.94 77.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.279 -0.419 . . . . 0.86 111.325 176.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1897 ' ' ALA . . . . . 0.571 ' HA ' HG11 ' A' 1920 ' ' VAL . . . -62.41 -32.79 73.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.159 -0.473 . . . . 0.49 111.521 -177.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 35.1 t -72.64 -43.52 63.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.184 -0.462 . . . . 1.38 110.212 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.45 ' O ' ' HD2' ' A' 1902 ' ' PRO . 51.3 mt-30 -71.72 -26.04 62.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 1.56 111.686 -178.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.7 -27.32 65.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.379 -0.373 . . . . 0.34 111.867 -177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.786 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 56.8 mtpt -63.03 -57.32 21.74 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.462 -0.335 . . . . 2.27 111.327 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.786 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 16.1 Cg_exo -68.93 -29.7 27.53 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.954 1.769 . . . . 0.6 111.988 176.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.59 94.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 0.39 110.838 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1904 ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' 1842 ' ' PRO . . . -62.37 -44.4 96.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.73 -0.668 . . . . 0.46 111.488 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.691 HG21 ' HA2' ' A' 1844 ' ' GLY . 7.4 p -75.91 -24.54 16.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-O 120.725 0.298 . . . . 1.26 111.369 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -73.67 -13.44 60.99 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.901 0.382 . . . . 0.64 111.073 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -75.65 171.28 14.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.951 -0.568 . . . . 0.85 110.215 177.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -92.94 -2.82 55.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.361 0.6 . . . . 2.67 110.439 -177.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.752 ' OD1' ' HB ' ' A' 1912 ' ' ILE . 4.7 p30 -147.31 162.56 38.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.44 -0.8 . . . . 2.18 111.093 -173.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -84.45 -34.95 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.141 -0.481 . . . . 2.24 110.419 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -49.22 78.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.779 0.323 . . . . 2.49 111.285 -177.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.752 ' HB ' ' OD1' ' A' 1909 ' ' ASN . 22.5 mm -62.55 -42.85 97.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.015 -0.539 . . . . 0.89 110.475 178.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -64.18 -44.32 95.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.637 -0.792 . . . . 0.51 111.965 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1914 ' ' ALA . . . . . 0.688 ' HA ' ' HE3' ' A' 1917 ' ' LYS . . . -61.02 -40.25 92.83 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 120.907 0.384 . . . . 0.46 110.435 177.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.417 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.6 t-160 -61.27 -34.98 76.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.606 -0.725 . . . . 1.62 110.266 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' 1920 ' ' VAL . 91.2 mt -68.99 -54.67 18.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.021 0.439 . . . . 0.4 110.451 175.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.688 ' HE3' ' HA ' ' A' 1914 ' ' ALA . 51.5 mtmt -56.29 -46.87 79.57 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.483 -0.78 . . . . 1.36 111.019 -177.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -63.9 -31.79 73.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 1.91 111.858 -177.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.531 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 22.0 mmt180 -78.23 -24.22 47.08 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.832 -0.347 . . . . 2.55 111.225 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.571 HG11 ' HA ' ' A' 1897 ' ' ALA . 56.0 t -73.74 -30.65 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.365 0.602 . . . . 0.35 109.461 173.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' 1917 ' ' LYS . 10.9 mm100 -62.68 -25.25 68.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.835 -0.621 . . . . 1.22 109.831 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.705 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 6.5 mm-40 -61.85 -47.46 84.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.51 -0.768 . . . . 1.49 110.815 177.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.668 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 0.9 OUTLIER -70.8 -27.57 63.99 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 108.635 -0.876 . . . . 0.67 108.635 175.071 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1924 ' ' GLY . . . . . 0.44 ' O ' HD11 ' A' 1835 ' ' ILE . . . -56.28 -36.56 69.52 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.777 -0.725 . . . . 0.64 111.948 177.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -93.44 -46.9 7.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.746 0.308 . . . . 0.69 110.437 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -65.5 -52.89 35.52 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.226 -0.511 . . . . 0.25 113.145 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.668 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 93.1 m -65.82 -33.9 76.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.697 0.248 . . . . 1.22 110.812 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 32.1 t -58.32 -50.86 72.14 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.423 -0.584 . . . . 1.03 109.423 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.44 98.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.419 -0.81 . . . . 0.28 110.644 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.721 HD12 HG21 ' A' 1957 ' ' VAL . 0.5 OUTLIER -58.71 -50.13 75.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.023 -0.535 . . . . 0.28 111.261 -177.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 18.8 m -69.3 -26.26 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.302 . . . . 0.26 110.799 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.5 m -70.67 -46.11 63.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 0.8 110.377 176.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -61.66 -37.24 83.33 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.23 -0.441 . . . . 1.27 110.746 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.12 84.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.693 -0.231 . . . . 0.3 111.03 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -58.91 -40.75 95.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.619 -0.8 . . . . 0.4 111.995 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.69 71.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.884 0.373 . . . . 0.5 111.084 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.675 HD12 HD12 ' A' 1882 ' ' LEU . 3.3 tm? -70.04 -38.56 75.89 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.599 -0.519 . . . . 0.41 109.599 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -71.81 -25.05 61.84 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.218 0.533 . . . . 1.06 110.989 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 48.7 t -71.92 -24.53 61.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.728 -0.669 . . . . 1.43 110.147 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1940 ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' 1942 ' ' SER . 61.3 m -152.15 72.84 7.76 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.974 -0.38 . . . . 0.8 109.974 177.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.16 11.7 0.16 Allowed 'Trans proline' 0 N--CA 1.48 0.711 0 C-N-CA 123.385 2.723 . . . . 0.69 113.568 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1942 ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' 1940 ' ' SER . 50.5 m -114.81 4.5 14.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.228 -0.442 . . . . 1.54 111.117 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1943 ' ' ASP . . . . . 0.413 ' OD1' ' HB ' ' A' 1946 ' ' THR . 0.7 OUTLIER -85.06 168.2 15.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.741 -0.466 . . . . 1.16 109.741 178.216 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 96.3 t -117.09 -42.35 2.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.334 -0.394 . . . . 1.33 110.605 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.46 ' O ' ' HG3' ' A' 1949 ' ' GLU . 33.6 t80 -63.83 -51.47 64.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.013 -0.539 . . . . 1.91 111.705 -174.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.413 ' HB ' ' OD1' ' A' 1943 ' ' ASP . 98.2 m -66.09 -39.75 90.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.139 -0.482 . . . . 0.6 110.409 -176.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -61.6 -43.99 97.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.733 -0.667 . . . . 1.2 110.159 175.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' 1952 ' ' GLU . 54.3 tttm -60.7 -41.54 95.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 2.67 110.569 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' 1945 ' ' TYR . 32.5 mt-10 -58.75 -38.01 77.48 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.531 -0.304 . . . . 1.53 110.841 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.494 ' HG ' HD23 ' A' 1930 ' ' LEU . 8.9 tt -67.59 -42.04 83.11 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.034 -0.358 . . . . 0.31 110.034 178.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.62 ' O ' ' HG3' ' A' 1955 ' ' ARG . 97.6 mt -56.48 -49.52 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.35 109.987 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' 1948 ' ' LYS . 61.0 mm-40 -63.42 -42.18 98.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 2.11 110.539 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.493 ' O ' HG23 ' A' 1957 ' ' VAL . 34.2 t -62.37 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 0.88 110.613 -178.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.33 87.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 0.25 110.658 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' 1951 ' ' ILE . 78.5 mtp180 -58.93 -44.49 91.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 3.21 110.522 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' 1960 ' ' LYS . 23.9 mtm180 -69.39 -39.31 78.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 3.16 110.975 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.721 HG21 HD12 ' A' 1930 ' ' LEU . 97.4 t -64.01 -42.68 96.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.479 -0.328 . . . . 0.3 110.84 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 57.4 m -57.42 -36.75 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 1.13 110.87 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 1955 ' ' ARG . 43.3 mt-10 -67.95 -31.38 71.08 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.134 0.493 . . . . 1.86 110.837 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.705 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.3 mmtt -70.82 -37.17 73.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 0.65 110.086 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.827 HG11 ' HB2' ' A' 1865 ' ' ALA . 20.4 t -59.77 -46.71 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.263 -0.426 . . . . 0.27 110.36 177.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 18.2 m -56.39 -35.42 67.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.732 -0.667 . . . . 1.3 110.743 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.531 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 29.3 m80 -72.97 -41.83 63.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 1.11 111.518 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' 1960 ' ' LYS . 91.1 t -62.08 -48.88 86.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.854 0.359 . . . . 0.35 110.43 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.19 -42.99 87.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.911 -0.586 . . . . 0.35 110.723 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.36 -37.74 83.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.4 111.187 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.73 96.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.431 . . . . 0.46 111.028 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.667 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.8 mm? -65.31 -48.43 73.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.5 110.682 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.87 -24.98 66.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.926 -0.579 . . . . 1.7 111.259 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -66.78 -22.37 66.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.93 110.804 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1971 ' ' GLY . . . . . 0.487 ' HA3' ' CE2' ' A' 1850 ' ' PHE . . . -80.76 -16.36 75.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.864 -0.684 . . . . 2.0 112.435 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -126.32 86.58 2.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.341 0.591 . . . . 5.01 110.751 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.313 -0.851 . . . . 7.5 109.752 177.659 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.132 0 N-CA-C 112.503 -0.239 . . . . 21.55 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1810 ' ' ILE . . . . . 0.423 HG13 ' H ' ' A' 1810 ' ' ILE . 2.3 pp -84.62 17.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.427 0.632 . . . . 20.33 111.019 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1811 ' ' ASP . . . . . 0.488 ' HB2' ' HD2' ' A' 1812 ' ' PRO . 8.5 p-10 -133.31 178.41 1.78 Allowed Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.098 -0.956 . . . . 19.2 109.485 -171.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1812 ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' A' 1811 ' ' ASP . 52.4 Cg_exo -56.28 -5.96 1.22 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 123.256 2.637 . . . . 18.2 114.287 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 91.1 t80 -63.8 -22.64 67.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.471 0.653 . . . . 20.33 109.525 170.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1814 ' ' THR . . . . . 0.494 HG23 ' HB3' ' A' 1821 ' ' ALA . 81.5 m -132.14 112.43 12.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.485 -0.779 . . . . 16.69 109.922 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 17.2 m120 -115.07 179.4 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.029 0.442 . . . . 16.15 111.224 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -109.11 -30.02 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.652 -0.703 . . . . 14.41 110.031 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -60.4 142.0 55.57 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.756 -0.657 . . . . 12.08 111.397 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . 67.62 -79.81 0.04 OUTLIER 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.465 -0.789 . . . . 10.45 111.001 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.4 m -140.17 112.43 7.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.521 -0.308 . . . . 8.54 110.187 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -63.95 146.72 53.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.581 -0.525 . . . . 6.8 109.581 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1821 ' ' ALA . . . . . 0.494 ' HB3' HG23 ' A' 1814 ' ' THR . . . -63.58 -60.34 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.921 0.391 . . . . 4.72 111.196 -177.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 79.7 -23.06 3.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 3.52 111.984 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1823 ' ' VAL . . . . . 0.484 HG12 HG23 ' A' 1824 ' ' VAL . 49.9 t 67.98 -70.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 123.502 0.721 . . . . 2.13 111.229 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.484 HG23 HG12 ' A' 1823 ' ' VAL . 46.9 t -112.4 0.13 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.258 0.551 . . . . 1.83 109.89 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -73.9 48.93 1.71 Allowed Glycine 0 CA--C 1.521 0.468 0 CA-C-N 115.831 -0.622 . . . . 2.1 113.263 -177.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -158.3 -52.26 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.908 -0.877 . . . . 0.91 110.908 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.415 ' HB2' HG21 ' A' 1890 ' ' THR . 26.6 ptt? -79.04 -14.3 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.791 0.329 . . . . 1.1 110.872 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1828 ' ' VAL . . . . . 0.426 ' HB ' HG12 ' A' 1824 ' ' VAL . 12.5 p -63.97 -26.79 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 0.74 109.973 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.98 -34.7 76.65 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.566 -0.743 . . . . 0.87 110.51 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.6 m -65.34 -36.73 84.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.746 -0.661 . . . . 0.97 110.88 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.406 ' O ' HG13 ' A' 1835 ' ' ILE . 52.6 mt -67.44 -37.27 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.32 110.33 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 12.4 m -65.03 -36.11 83.32 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.074 0.464 . . . . 0.61 110.515 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -63.64 -40.03 95.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 2.49 110.171 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.416 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -59.7 -42.46 93.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.615 -0.72 . . . . 0.34 111.095 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1835 ' ' ILE . . . . . 0.446 HD11 ' O ' ' A' 1924 ' ' GLY . 44.6 mt -61.36 -40.56 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.29 0.567 . . . . 0.49 110.479 178.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1836 ' ' ASN . . . . . 0.588 ' O ' ' HG2' ' A' 1840 ' ' GLU . 19.7 m-80 -69.37 -48.71 60.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.025 -0.534 . . . . 0.72 111.644 -177.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1837 ' ' GLN . . . . . 0.416 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 15.7 pt20 -62.5 -34.22 76.44 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.938 0.347 . . . . 1.0 111.938 -175.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 96.6 mt -74.61 -26.37 59.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.757 0.313 . . . . 0.79 111.103 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.24 -41.89 56.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 1.79 110.422 176.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1840 ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' 1836 ' ' ASN . 12.5 mm-40 -57.48 -51.81 67.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.765 -0.652 . . . . 3.25 111.188 -177.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 160.82 -167.42 35.88 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.229 -0.986 . . . . 1.73 112.94 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -84.39 -165.99 0.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.123 2.548 . . . . 2.43 112.025 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 53.2 ttp -101.24 -73.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.568 -0.287 . . . . 5.03 110.381 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 137.09 160.17 8.52 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.888 -0.672 . . . . 1.86 112.363 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 8.2 p-10 27.46 75.38 0.33 Allowed Pre-proline 0 N--CA 1.473 0.709 0 C-N-CA 124.718 1.207 . . . . 3.08 112.971 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -65.78 131.32 27.11 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.463 2.108 . . . . 1.21 111.707 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -79.74 2.59 22.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 2.82 111.329 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -140.78 166.03 26.02 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.445 -0.662 . . . . 1.14 111.445 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 37.6 t -76.0 168.76 19.45 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.97 -0.381 . . . . 1.64 109.97 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.572 ' HE1' HD11 ' A' 1916 ' ' ILE . 73.0 t80 -55.47 -40.32 71.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.68 110.47 178.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 5.7 p -55.56 -38.21 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.796 -0.638 . . . . 0.79 111.475 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.48 -55.93 15.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.329 . . . . 1.71 110.782 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -63.71 -34.44 77.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 1.07 110.972 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.622 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 51.4 tt0 -59.63 -57.23 13.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.213 -0.449 . . . . 0.99 110.72 176.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 56.9 m -58.53 -39.84 81.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.915 -0.584 . . . . 1.46 111.14 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 23.8 m -65.84 -46.69 77.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.834 0.35 . . . . 0.42 110.895 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 67.8 mtp -66.53 -43.46 85.1 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.183 0.438 . . . . 0.71 112.183 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.678 ' O ' ' HG3' ' A' 1862 ' ' LYS . 24.4 m -64.12 -33.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 119.964 -0.695 . . . . 0.29 110.473 -178.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -62.01 -51.42 68.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 3.02 110.451 175.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.525 ' O ' HG23 ' A' 1864 ' ' ILE . 21.5 m -64.7 -35.77 82.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 0.35 111.099 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.536 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.66 -47.51 80.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 0.25 110.829 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.0 mttt -65.28 -29.23 69.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.943 0.402 . . . . 1.31 110.282 176.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1863 ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' 1866 ' ' VAL . . . -67.59 -44.36 78.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.41 110.993 176.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.58 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -74.65 -23.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.514 -0.474 . . . . 0.28 110.035 178.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.756 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.59 -38.72 80.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.168 -0.469 . . . . 0.2 111.361 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.411 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.7 p -75.01 -25.11 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.45 -0.5 . . . . 0.73 110.01 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.557 ' O ' ' HG3' ' A' 1871 ' ' MET . 91.8 m -64.78 -56.52 13.06 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.058 -0.519 . . . . 0.25 110.792 173.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.677 HG23 HD11 ' A' 1930 ' ' LEU . 2.4 p -60.59 -39.51 81.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.455 -0.339 . . . . 0.28 111.378 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.411 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -67.76 -25.41 65.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.49 . . . . 0.91 110.012 178.737 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -75.62 -38.3 59.09 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.461 -0.57 . . . . 0.57 109.461 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.557 ' HG3' ' O ' ' A' 1867 ' ' THR . 85.4 mtp -62.24 -45.43 93.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.866 -0.606 . . . . 1.25 111.364 -175.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' 1954 ' ' ALA . 7.1 p -60.17 -43.85 94.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.168 0.509 . . . . 0.59 110.855 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 21.0 m -69.57 -43.01 73.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.511 -0.768 . . . . 0.44 111.232 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.564 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 5.3 mmpt? -68.95 -32.41 71.98 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.61 -0.268 . . . . 1.4 111.427 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 26.0 t -60.49 -24.36 65.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.882 0.372 . . . . 1.11 110.483 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -81.52 -36.09 29.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.895 -0.593 . . . . 0.76 111.826 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 25.8 p -107.62 -36.99 6.29 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.833 0.679 . . . . 1.32 112.833 -172.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 72.0 m -142.01 88.47 9.27 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.993 -0.549 . . . . 1.17 110.116 -171.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.18 -29.29 55.79 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.507 2.138 . . . . 0.67 113.214 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.8 -18.62 53.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.963 0.411 . . . . 2.24 110.499 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.39 -11.19 60.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.093 -0.503 . . . . 1.89 110.511 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.669 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 96.4 mt -69.3 -28.4 66.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.766 -0.652 . . . . 0.34 110.861 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1883 ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.62 -55.89 24.56 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.774 -0.727 . . . . 0.38 113.103 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' 1883 ' ' GLY . 12.9 Cg_endo -59.14 -37.46 92.06 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.444 2.096 . . . . 0.58 112.571 175.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.556 HD11 ' HG3' ' A' 1874 ' ' LYS . 80.1 mt -71.35 -42.36 68.6 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.155 -0.218 . . . . 0.37 111.089 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1886 ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.66 -33.44 71.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.24 0.543 . . . . 0.36 109.723 174.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.16 -43.71 73.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.593 -0.73 . . . . 1.43 110.338 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -67.8 -42.55 81.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 1.07 110.984 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 36.4 tp -60.08 -32.31 70.83 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.872 -0.418 . . . . 0.25 109.872 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1890 ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' 1827 ' ' MET . 53.7 m -72.9 -49.82 27.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.964 -0.562 . . . . 0.28 111.434 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 54.6 p -67.62 -50.06 59.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.406 0.622 . . . . 1.17 111.293 -174.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.16 -31.32 69.89 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.119 -0.946 . . . . 0.8 111.482 -176.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1893 ' ' TYR . . . . . 0.531 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 43.6 t80 -64.91 -40.27 94.82 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.604 -0.438 . . . . 0.31 110.082 174.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.98 -31.1 58.3 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.809 -0.632 . . . . 0.31 112.109 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -68.04 -45.47 73.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 3.04 110.17 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' 1861 ' ' ALA . 20.1 mt -61.36 -41.38 96.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.402 -0.363 . . . . 0.86 110.896 177.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.38 98.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.183 -0.462 . . . . 0.49 111.426 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 5.7 p -77.56 -36.55 52.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.527 -0.306 . . . . 1.38 111.419 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.545 ' O ' ' HD2' ' A' 1902 ' ' PRO . 20.9 mt-30 -74.74 -24.11 58.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.765 -0.198 . . . . 1.56 111.391 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.83 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.76 0.314 . . . . 0.34 111.476 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.824 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 7.9 mmmm -58.74 -53.32 67.5 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 116.302 -0.408 . . . . 2.27 111.507 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.824 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 11.0 Cg_exo -73.11 -28.84 12.37 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.26 1.973 . . . . 0.6 112.305 174.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.05 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.39 110.768 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1904 ' ' ALA . . . . . 0.479 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -59.4 -46.48 88.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.733 -0.667 . . . . 0.46 111.416 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' 1902 ' ' PRO . 12.4 p -75.57 -23.36 16.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 1.26 111.044 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.53 -20.62 56.71 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.77 0.319 . . . . 0.64 111.134 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -72.33 139.77 48.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.237 -0.438 . . . . 0.85 110.259 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.11 -28.61 18.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.048 0.451 . . . . 2.67 110.094 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.474 ' HB3' HG12 ' A' 1912 ' ' ILE . 51.7 t-20 -87.69 122.24 31.12 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.322 -0.992 . . . . 2.18 108.322 172.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.28 -36.19 77.26 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.401 -0.363 . . . . 2.24 111.457 -173.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.67 -35.19 80.06 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.432 -0.349 . . . . 2.49 111.047 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.551 ' O ' HG13 ' A' 1916 ' ' ILE . 41.6 mm -60.67 -51.02 77.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.741 -0.466 . . . . 0.89 109.741 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -60.41 -42.09 98.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.978 -0.629 . . . . 0.51 112.585 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.4 89.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 0.46 110.609 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.522 ' O ' ' HG2' ' A' 1919 ' ' ARG . 24.0 m-70 -66.42 -40.16 89.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.69 -0.686 . . . . 1.62 111.335 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.572 HD11 ' HE1' ' A' 1850 ' ' PHE . 74.0 mt -53.09 -54.65 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.785 0.326 . . . . 0.4 110.98 178.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.56 ' O ' ' HG3' ' A' 1921 ' ' GLN . 50.4 mtmt -59.08 -47.59 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 1.36 110.566 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -64.53 -34.74 78.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.529 -0.76 . . . . 1.91 112.023 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.606 ' HB3' HG22 ' A' 1964 ' ' VAL . 29.9 mmt180 -66.21 -40.07 90.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 2.55 110.567 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' 1916 ' ' ILE . 60.7 t -65.23 -27.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.469 0.652 . . . . 0.35 110.098 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' 1917 ' ' LYS . 18.0 mt-30 -71.39 -24.73 62.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.836 -0.62 . . . . 1.22 111.365 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.73 -42.39 83.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.935 -0.765 . . . . 1.49 108.935 171.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.728 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.6 mt -74.13 -26.79 60.53 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.634 -0.712 . . . . 0.67 109.886 174.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1924 ' ' GLY . . . . . 0.446 ' O ' HD11 ' A' 1835 ' ' ILE . . . -57.91 -33.24 67.98 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.015 -1.088 . . . . 0.64 111.456 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -91.37 -46.59 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.669 0.271 . . . . 0.69 110.635 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.55 -50.04 46.19 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.085 -0.579 . . . . 0.25 113.215 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.728 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 88.2 m -65.41 -37.25 86.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.703 0.287 . . . . 1.22 110.436 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 30.9 t -61.0 -46.5 90.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.201 0.524 . . . . 1.03 110.175 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.22 90.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.644 -0.707 . . . . 0.28 110.725 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.677 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.84 -52.87 62.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 0.28 110.871 -178.833 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' 1886 ' ' ALA . 32.9 m -63.84 -37.63 80.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.83 0.348 . . . . 0.26 110.721 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.3 m -65.33 -42.01 93.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.071 0.462 . . . . 0.8 110.658 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.55 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.4 tptt -67.22 -40.69 86.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.914 -0.585 . . . . 1.27 110.642 -178.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1934 ' ' ALA . . . . . 0.669 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -59.1 -35.76 73.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.3 111.054 176.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -62.35 -41.88 99.73 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.555 -0.831 . . . . 0.4 111.522 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.02 -31.47 64.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.746 0.308 . . . . 0.5 111.047 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' 1937 ' ' LEU . 2.7 tm? -70.42 -31.17 68.25 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.505 -0.554 . . . . 0.41 109.505 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -76.13 -25.83 55.73 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.026 0.441 . . . . 1.06 110.858 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 49.6 t -76.28 -17.85 59.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.824 -0.625 . . . . 1.43 110.011 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 26.1 m -153.16 70.02 6.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.8 109.965 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.76 -13.19 38.64 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.813 2.342 . . . . 0.69 113.047 -173.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.3 m -95.18 -0.69 52.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.962 -0.563 . . . . 1.54 111.047 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -87.58 107.94 18.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.218 0.532 . . . . 1.16 110.211 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 61.0 t -68.97 -31.85 52.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.647 -0.706 . . . . 1.33 111.095 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 61.5 t80 -64.46 -48.51 75.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.509 -0.314 . . . . 1.91 110.537 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.539 HG23 ' HE3' ' A' 1933 ' ' LYS . 41.8 m -59.25 -42.92 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.6 110.597 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.471 ' O ' HG13 ' A' 1951 ' ' ILE . 29.0 ttpp -63.37 -42.42 98.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 1.2 110.111 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.4 -42.84 88.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 2.67 110.699 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.55 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 42.4 mt-10 -65.18 -41.47 94.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.952 -0.567 . . . . 1.53 110.778 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.59 -39.71 84.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.61 -0.268 . . . . 0.31 110.615 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' 1947 ' ' LYS . 96.7 mt -55.37 -45.21 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.983 0.42 . . . . 0.35 109.892 174.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' A' 1956 ' ' ARG . 23.7 mm-40 -59.18 -52.67 64.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.916 -0.583 . . . . 2.11 111.04 174.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.546 ' O ' HG23 ' A' 1957 ' ' VAL . 71.7 m -52.91 -47.21 68.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.309 -0.405 . . . . 0.88 110.876 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.464 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -58.82 -43.89 90.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.383 -0.371 . . . . 0.25 111.65 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' 1955 ' ' ARG . 48.3 mtp180 -60.43 -46.56 89.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.368 0.604 . . . . 3.21 110.227 177.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' 1952 ' ' GLU . 92.7 mtt180 -68.01 -39.23 83.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.133 -0.94 . . . . 3.16 111.31 -174.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.609 ' HB ' HG21 ' A' 1868 ' ' VAL . 95.9 t -63.21 -44.42 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.728 0.299 . . . . 0.3 110.347 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 32.6 t -57.51 -38.45 74.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.116 -0.493 . . . . 1.13 110.372 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.25 -35.41 77.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.928 -0.578 . . . . 1.86 110.968 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.587 ' O ' HG23 ' A' 1964 ' ' VAL . 28.2 mmtp -69.46 -35.94 76.1 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.002 -0.279 . . . . 0.65 110.515 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.756 HG11 ' HB2' ' A' 1865 ' ' ALA . 51.1 t -57.3 -44.23 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.967 0.413 . . . . 0.27 110.126 175.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 30.3 t -59.21 -36.19 74.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.7 -0.682 . . . . 1.3 110.355 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 43.3 m170 -70.92 -38.48 72.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 1.11 110.279 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.606 HG22 ' HB3' ' A' 1919 ' ' ARG . 56.9 t -62.0 -52.11 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.35 110.499 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 63.9 mt -55.28 -43.89 75.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.657 -0.701 . . . . 0.35 110.714 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.48 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.4 111.566 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1967 ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -65.94 -40.32 91.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.37 . . . . 0.46 110.743 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.622 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -68.53 -49.43 59.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.5 110.369 177.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -60.79 -24.83 66.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.309 -0.405 . . . . 1.7 111.537 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -69.75 -23.2 63.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.897 0.38 . . . . 0.93 110.805 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -75.89 -6.61 82.55 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.923 -0.581 . . . . 2.0 112.475 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 15.8 m120 -90.96 -2.96 57.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.87 0.366 . . . . 5.01 110.032 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 . . . . . 0 C--O 1.248 0.989 0 CA-C-N 115.036 -0.984 . . . . 7.5 111.19 -178.796 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.778 -0.529 . . . . 21.55 111.778 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 10.7 tp -105.9 5.17 10.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.711 0.767 . . . . 20.33 109.74 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -128.63 127.13 23.55 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.227 -0.897 . . . . 19.2 109.927 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.52 -7.97 21.77 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.017 2.478 . . . . 18.2 114.036 -173.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.09 -34.76 79.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.099 0.476 . . . . 20.33 110.147 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 13.5 t -101.35 166.78 10.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.014 -0.539 . . . . 16.69 109.666 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 23.0 p30 -67.03 164.97 16.64 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.432 0.53 . . . . 16.15 112.432 -174.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 28.5 tt0 58.51 72.37 0.53 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.878 -1.055 . . . . 14.41 111.282 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -152.23 86.93 1.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 12.08 110.66 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -155.65 -174.86 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.252 -0.431 . . . . 10.45 110.603 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.5 m -69.82 119.53 14.19 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.519 -0.548 . . . . 8.54 109.519 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 65.86 -81.02 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.901 0.75 . . . . 6.8 110.747 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -170.19 155.04 5.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.365 -0.38 . . . . 4.72 110.076 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -98.67 12.61 62.84 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.712 -0.756 . . . . 3.52 111.808 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 25.3 m -83.07 -169.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.926 0.393 . . . . 2.13 110.959 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.609 HG12 ' HB ' ' A' 1828 ' ' VAL . 62.0 t -83.53 -33.84 10.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.142 -0.481 . . . . 1.83 110.923 -176.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -53.43 112.59 2.44 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.849 -0.691 . . . . 2.1 111.614 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 124.59 -61.05 0.6 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.924 -0.655 . . . . 0.91 111.857 -174.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.41 ' HE3' ' C ' ' A' 1886 ' ' ALA . 25.7 ptt? -79.39 -21.5 45.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.741 0.305 . . . . 1.1 110.798 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1828 ' ' VAL . . . . . 0.609 ' HB ' HG12 ' A' 1824 ' ' VAL . 14.5 p -60.57 -23.56 28.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.275 0.559 . . . . 0.74 110.287 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.02 -36.69 73.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.525 -0.761 . . . . 0.87 110.945 176.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 15.8 m -64.61 -34.7 78.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.97 110.672 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 54.7 mt -68.12 -46.08 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.55 . . . . 0.32 109.613 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 20.9 m -62.47 -48.03 81.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.425 -0.807 . . . . 0.61 111.133 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -59.72 -38.16 80.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 2.49 110.861 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -61.42 -38.12 85.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.34 111.33 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.94 -44.44 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.06 0.457 . . . . 0.49 110.718 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -63.15 -49.41 74.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.769 -0.65 . . . . 0.72 111.684 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -67.2 -33.07 74.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.544 0.572 . . . . 1.0 112.544 -175.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1838 ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' 1920 ' ' VAL . 66.4 mt -61.84 -43.79 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.065 0.394 . . . . 0.79 112.065 -175.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -78.65 -26.7 45.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.849 0.357 . . . . 1.79 110.478 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -68.96 -48.41 63.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.045 -0.525 . . . . 3.25 110.25 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 107.19 164.71 22.06 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.815 -0.707 . . . . 1.73 112.257 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1842 ' ' PRO . . . . . 0.497 ' HG3' ' O ' ' A' 1901 ' ' LYS . 65.1 Cg_endo -86.15 -164.66 0.23 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 123.093 2.529 . . . . 2.43 112.159 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 58.7 mtm -94.84 18.54 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.074 0.464 . . . . 5.03 109.931 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1844 ' ' GLY . . . . . 0.752 ' HA2' HG21 ' A' 1905 ' ' VAL . . . 66.55 39.63 93.98 Favored Glycine 0 CA--C 1.506 -0.513 0 C-N-CA 120.79 -0.719 . . . . 1.86 111.374 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -117.61 81.63 14.87 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 121.135 0.493 . . . . 3.08 111.836 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.477 ' HA ' ' HB3' ' A' 1902 ' ' PRO . 60.0 Cg_endo -83.81 120.68 2.74 Favored 'Trans proline' 0 N--CA 1.449 -1.108 0 C-N-CA 121.923 1.749 . . . . 1.21 111.253 170.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.44 -33.16 73.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.781 -0.645 . . . . 2.82 109.744 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -131.29 -169.71 12.48 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.511 -0.768 . . . . 1.14 111.738 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 20.0 t -82.96 159.29 22.29 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.674 -0.491 . . . . 1.64 109.674 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 68.3 t80 -55.16 -38.12 67.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.345 . . . . 0.68 111.069 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.3 p -53.87 -41.74 50.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.79 111.517 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.67 -43.73 83.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.422 . . . . 1.71 110.167 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.418 ' CZ ' ' HB2' ' A' 1902 ' ' PRO . 84.0 m-85 -66.73 -44.23 82.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.255 -0.43 . . . . 1.07 110.845 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.33 -53.91 53.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.014 -0.539 . . . . 0.99 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 5.9 t -62.96 -27.61 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 1.46 111.054 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 34.7 m -78.51 -51.51 9.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.843 0.354 . . . . 0.42 110.911 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.1 mtp -62.38 -36.15 81.37 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.331 0.493 . . . . 0.71 112.331 -174.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.678 ' O ' ' HG3' ' A' 1862 ' ' LYS . 28.5 m -63.89 -30.51 50.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 C-N-CA 120.355 -0.538 . . . . 0.29 110.308 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -77.05 -43.63 33.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 3.02 110.167 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.459 ' HB ' ' CD2' ' A' 1896 ' ' LEU . 4.2 m -63.7 -35.01 79.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.023 -0.535 . . . . 0.35 110.925 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.545 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.74 -43.6 92.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.25 110.529 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' 1858 ' ' VAL . 60.6 mttm -62.62 -34.17 76.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.052 0.454 . . . . 1.31 110.148 175.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.06 89.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 0.41 111.331 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.827 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -72.39 -28.59 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.248 -0.581 . . . . 0.28 109.95 178.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.633 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -66.36 -41.0 90.14 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 116.1 -0.5 . . . . 0.2 111.308 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.428 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.8 p -73.21 -24.98 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.46 -0.496 . . . . 0.73 110.305 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.59 ' O ' ' HG3' ' A' 1871 ' ' MET . 89.6 m -69.19 -53.98 17.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.385 -0.371 . . . . 0.25 110.676 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.638 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.4 p -61.48 -40.88 87.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.595 0.236 . . . . 0.28 111.21 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.428 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.2 -26.51 67.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.91 109.951 179.365 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' 1869 ' ' GLN . 8.7 tp10 -77.96 -38.2 45.72 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.754 -0.462 . . . . 0.57 109.754 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.59 ' HG3' ' O ' ' A' 1867 ' ' THR . 85.4 mtp -61.35 -46.84 88.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.568 -0.287 . . . . 1.25 110.918 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 7.5 p -61.27 -37.25 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.446 0.641 . . . . 0.59 110.769 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 78.7 m -75.25 -45.64 38.82 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.358 -0.837 . . . . 0.44 110.977 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.786 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -65.66 -31.32 72.28 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 116.229 -0.441 . . . . 1.4 111.377 179.538 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 22.6 t -60.51 -24.67 65.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.077 0.465 . . . . 1.11 110.719 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -81.11 -38.53 27.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 0.76 111.387 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 37.6 p -99.66 -41.7 7.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.453 0.538 . . . . 1.32 112.453 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.2 t -148.55 94.13 4.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.841 0.353 . . . . 1.17 110.636 -173.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.456 ' HB3' ' CD1' ' A' 1937 ' ' LEU . 23.7 Cg_exo -64.92 -13.11 37.74 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.65 2.233 . . . . 0.67 111.606 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -72.33 -25.47 61.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.775 -0.648 . . . . 2.24 110.447 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' 1885 ' ' LEU . 42.8 mm-40 -78.53 -15.3 58.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.805 -0.634 . . . . 1.89 110.991 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.437 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 94.2 mt -63.72 -30.67 71.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 0.34 111.666 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -67.14 -56.35 12.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.509 -0.853 . . . . 0.38 113.028 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' 1881 ' ' GLU . 38.6 Cg_exo -62.24 -28.05 78.86 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.303 2.002 . . . . 0.58 112.584 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.576 HD11 ' HG3' ' A' 1874 ' ' LYS . 90.4 mt -74.59 -42.38 58.8 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.884 -0.326 . . . . 0.37 110.313 176.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1886 ' ' ALA . . . . . 0.41 ' C ' ' HE3' ' A' 1827 ' ' MET . . . -60.34 -38.91 85.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.122 -0.696 . . . . 0.36 109.122 173.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1887 ' ' ASN . . . . . 0.409 ' HA ' ' SD ' ' A' 1827 ' ' MET . 9.7 m120 -57.13 -47.69 80.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.174 -0.921 . . . . 1.43 110.365 174.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1888 ' ' GLN . . . . . 0.486 ' HG2' ' OD2' ' A' 1892 ' ' ASP . 49.3 tt0 -72.57 -43.32 63.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.608 -0.724 . . . . 1.07 111.304 -175.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 51.5 tp -57.82 -38.71 76.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.113 0.482 . . . . 0.25 109.773 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 67.2 m -64.58 -46.91 80.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.615 -0.721 . . . . 0.28 111.114 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 48.3 p -71.81 -44.47 63.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.934 0.397 . . . . 1.17 111.292 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.65 ' HB3' HG22 ' A' 1864 ' ' ILE . 69.4 m-20 -59.05 -43.88 91.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.8 110.634 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.77 -41.39 90.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.31 110.784 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.55 -35.93 75.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.971 -0.633 . . . . 0.31 112.333 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -68.75 -37.8 79.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.005 0.431 . . . . 3.04 110.586 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.459 ' CD2' ' HB ' ' A' 1860 ' ' THR . 26.5 mt -66.1 -48.81 69.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.368 . . . . 0.86 110.523 174.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1897 ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -67.15 -25.94 66.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.777 -0.647 . . . . 0.49 112.426 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 11.7 p -82.06 -40.76 21.54 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.86 -0.336 . . . . 1.38 110.94 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.476 ' O ' ' HD2' ' A' 1902 ' ' PRO . 20.2 mt-30 -76.89 -24.94 52.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.36 -0.382 . . . . 1.56 111.774 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -66.36 -28.55 68.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.334 . . . . 0.34 111.811 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.824 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 58.4 mtpt -63.02 -59.04 13.51 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 116.267 -0.424 . . . . 2.27 111.192 -178.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.824 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 12.5 Cg_exo -69.5 -28.51 26.4 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.126 1.884 . . . . 0.6 112.222 178.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.25 83.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.223 0.535 . . . . 0.39 110.457 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1904 ' ' ALA . . . . . 0.459 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -60.7 -47.24 87.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.375 -0.83 . . . . 0.46 111.779 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.752 HG21 ' HA2' ' A' 1844 ' ' GLY . 12.3 p -75.34 -26.37 18.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 1.26 111.419 -176.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -80.03 -16.67 54.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.121 0.486 . . . . 0.64 110.804 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.83 145.97 51.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.85 111.222 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.51 -62.91 1.53 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.905 -0.589 . . . . 2.67 111.09 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.832 ' HB2' HG12 ' A' 1912 ' ' ILE . 1.6 m-20 -81.28 139.68 35.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.216 -0.447 . . . . 2.18 109.911 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.45 -36.9 85.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.479 -0.934 . . . . 2.24 108.479 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1911 ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.8 mp0 -59.77 -38.39 81.7 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.266 -0.879 . . . . 2.49 110.68 177.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.832 HG12 ' HB2' ' A' 1909 ' ' ASN . 40.5 mm -66.49 -42.92 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.459 -0.337 . . . . 0.89 110.183 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -63.72 -44.58 96.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.618 -0.801 . . . . 0.51 111.612 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.16 79.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.25 0.548 . . . . 0.46 110.666 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.505 ' O ' ' HG2' ' A' 1919 ' ' ARG . 1.4 t-160 -65.01 -49.24 70.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.445 -0.798 . . . . 1.62 110.383 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' 1912 ' ' ILE . 84.9 mt -58.36 -54.13 36.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.4 111.16 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.6 ptpt -61.13 -37.26 82.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 1.36 111.346 -176.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 19.7 m170 -75.56 -26.14 57.69 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.979 0.363 . . . . 1.91 111.979 -177.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' 1915 ' ' HIS . 18.9 mmt180 -75.24 -33.62 61.34 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.921 -0.312 . . . . 2.55 110.881 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.568 ' HB ' HD13 ' A' 1838 ' ' LEU . 17.7 t -70.58 -22.58 23.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.911 -0.403 . . . . 0.35 109.911 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' 1917 ' ' LYS . 11.4 mm100 -60.31 -39.73 88.04 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.34 0.59 . . . . 1.22 109.468 172.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' 1919 ' ' ARG . 14.5 mm-40 -58.62 -46.95 85.95 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.109 -0.95 . . . . 1.49 109.939 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 1923 ' ' LEU . 18.5 mt -63.31 -38.11 89.9 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.509 -0.769 . . . . 0.67 110.576 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.78 -53.42 36.41 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.778 -0.725 . . . . 0.64 111.781 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 76.0 m80 -65.62 -43.8 88.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.737 0.303 . . . . 0.69 110.746 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.0 -52.71 35.13 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.903 -0.665 . . . . 0.25 112.864 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.416 ' O ' HG22 ' A' 1931 ' ' VAL . 78.8 m -61.51 -43.46 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.246 0.218 . . . . 1.22 111.138 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 29.2 m -55.98 -47.36 77.84 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.072 0.463 . . . . 1.03 110.419 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.05 82.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 0.28 111.282 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.615 HD12 HG21 ' A' 1957 ' ' VAL . 0.6 OUTLIER -67.88 -53.5 26.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.269 -0.423 . . . . 0.28 110.099 -179.44 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.552 ' O ' HG21 ' A' 1824 ' ' VAL . 27.3 m -64.27 -35.84 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 0.26 111.146 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.6 m -57.65 -45.36 85.61 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.8 0.333 . . . . 0.8 110.751 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.554 ' HE2' ' HB3' ' A' 1949 ' ' GLU . 13.9 mptt -65.71 -40.97 92.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.27 111.18 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1934 ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -62.73 -35.06 78.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.499 -0.319 . . . . 0.3 111.52 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -60.47 -43.37 98.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.488 -0.863 . . . . 0.4 111.575 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -76.65 -29.51 56.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.809 0.338 . . . . 0.5 111.096 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' 1937 ' ' LEU . 1.5 tm? -71.74 -28.63 63.79 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.787 -0.449 . . . . 0.41 109.787 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -77.46 -26.68 51.66 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.222 -0.591 . . . . 1.06 110.784 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.8 t -74.27 -27.68 60.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.316 -0.624 . . . . 1.43 109.316 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 19.6 m -142.3 71.47 22.06 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.785 -0.643 . . . . 0.8 109.868 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.52 ' HA ' HD13 ' A' 1937 ' ' LEU . 38.2 Cg_endo -68.11 -8.82 23.87 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.663 2.242 . . . . 0.69 111.624 -176.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 6.7 p -89.59 -15.72 32.18 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.649 -1.16 . . . . 1.54 111.259 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.4 117.94 20.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 1.16 111.013 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 49.5 t -75.28 -34.87 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.78 -0.645 . . . . 1.33 110.648 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 53.9 t80 -61.74 -48.88 78.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.838 -0.619 . . . . 1.91 110.862 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 21.6 m -65.27 -37.66 87.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.195 -0.457 . . . . 0.6 110.789 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.413 ' O ' HG13 ' A' 1951 ' ' ILE . 36.9 ttpt -65.6 -41.59 92.63 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.065 -0.346 . . . . 1.2 110.065 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' 1952 ' ' GLU . 26.1 ttpp -55.23 -47.57 75.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 2.67 109.964 174.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.554 ' HB3' ' HE2' ' A' 1933 ' ' LYS . 24.0 mm-40 -61.18 -40.91 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.362 -0.835 . . . . 1.53 111.433 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.98 -41.62 95.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.63 -0.259 . . . . 0.31 110.72 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.516 ' O ' ' HG2' ' A' 1955 ' ' ARG . 83.7 mt -60.06 -42.34 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.35 110.18 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' 1948 ' ' LYS . 19.2 mm-40 -65.48 -41.92 92.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 2.11 110.404 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' 1957 ' ' VAL . 85.3 m -56.21 -43.66 78.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.88 110.395 175.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.36 91.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.935 -0.575 . . . . 0.25 111.212 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' 1951 ' ' ILE . 22.5 mmm180 -58.63 -50.65 73.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.014 0.435 . . . . 3.21 110.409 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.55 ' O ' ' HG2' ' A' 1960 ' ' LYS . 45.2 mtt180 -58.21 -39.45 79.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 3.16 111.041 -177.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.638 ' HB ' HG21 ' A' 1868 ' ' VAL . 61.5 t -63.19 -54.5 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.3 110.7 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 21.0 t -60.28 -34.94 74.47 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.954 0.407 . . . . 1.13 110.502 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -60.45 -40.14 90.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.454 0.645 . . . . 1.86 111.268 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' 1956 ' ' ARG . 28.0 mmtp -81.38 -27.21 34.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.073 -0.512 . . . . 0.65 111.439 -176.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.827 HG22 HD11 ' A' 1864 ' ' ILE . 42.8 t -53.7 -48.23 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.923 0.392 . . . . 0.27 110.379 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 2.8 m -58.26 -37.34 74.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.647 -0.706 . . . . 1.3 110.669 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 70.8 m80 -69.87 -42.13 73.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.005 -0.543 . . . . 1.11 110.81 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' 1960 ' ' LYS . 61.8 t -63.56 -46.76 94.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.418 -0.356 . . . . 0.35 110.453 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.446 HD21 ' HB3' ' A' 1861 ' ' ALA . 63.7 mt -57.53 -48.7 78.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 0.35 111.012 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.31 -24.81 65.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.099 -0.501 . . . . 0.4 111.801 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -66.88 -26.71 67.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.516 -0.311 . . . . 0.46 111.05 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' 1968 ' ' LEU . 3.6 mm? -78.11 -48.08 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.574 -0.285 . . . . 0.5 111.198 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -69.65 -15.88 63.27 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.687 0.279 . . . . 1.7 111.157 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -75.85 -19.11 59.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.144 0.497 . . . . 0.93 110.481 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -88.18 48.57 3.64 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.847 -0.615 . . . . 2.0 112.814 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -81.05 159.79 24.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.017 -0.364 . . . . 5.01 110.017 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 119.113 -0.47 . . . . 7.5 110.803 -179.041 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.967 -0.453 . . . . 21.55 111.967 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.71 133.58 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.598 0.237 . . . . 20.33 110.634 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 68.77 99.42 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.283 0 CA-C-N 115.662 -0.699 . . . . 19.2 110.448 -174.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.38 133.48 30.43 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 123.018 2.479 . . . . 18.2 112.562 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 29.1 t80 64.08 52.51 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.601 -0.727 . . . . 20.33 111.006 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 26.8 m -94.29 -24.71 17.32 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.861 -0.792 . . . . 16.69 108.861 171.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 4.7 m-20 68.67 -69.96 0.14 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.612 -1.176 . . . . 16.15 113.133 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -160.89 164.37 31.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.774 0.321 . . . . 14.41 111.72 -170.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . 59.81 38.16 21.58 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.277 -0.874 . . . . 12.08 112.363 171.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -74.86 138.65 42.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.969 0.414 . . . . 10.45 110.325 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 57.4 m -93.77 107.3 19.2 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.868 -0.605 . . . . 8.54 110.726 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -79.15 88.54 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.066 0.46 . . . . 6.8 110.009 176.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1821 ' ' ALA . . . . . 0.41 ' HB1' HG12 ' A' 1823 ' ' VAL . . . -86.1 -46.21 10.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.938 -0.573 . . . . 4.72 110.858 -176.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 68.69 33.51 76.18 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.779 -0.724 . . . . 3.52 111.656 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1823 ' ' VAL . . . . . 0.942 HG21 ' HA2' ' A' 1935 ' ' GLY . 6.0 p -140.57 171.77 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.633 -0.506 . . . . 2.13 109.633 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.731 HG21 ' HB ' ' A' 1931 ' ' VAL . 21.8 t -43.9 103.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 123.79 0.836 . . . . 1.83 112.431 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -149.47 -1.36 0.38 Allowed Glycine 0 C--N 1.319 -0.373 0 CA-C-N 115.354 -0.839 . . . . 2.1 112.11 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -122.2 -47.27 0.28 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.824 -0.703 . . . . 0.91 111.859 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.692 ' HE2' HG22 ' A' 1824 ' ' VAL . 25.0 ptt? -76.75 -11.93 59.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.638 0.256 . . . . 1.1 111.422 -177.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1828 ' ' VAL . . . . . 0.621 ' HB ' HG12 ' A' 1824 ' ' VAL . 7.4 p -64.05 -37.15 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.147 0.498 . . . . 0.74 109.729 175.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.11 -40.44 89.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.455 -0.793 . . . . 0.87 110.698 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 35.8 m -57.33 -32.98 67.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.392 -0.822 . . . . 0.97 111.422 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.439 HG23 ' CE2' ' A' 1893 ' ' TYR . 57.5 mt -72.73 -44.15 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.011 0.434 . . . . 0.32 110.386 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 6.3 m -64.29 -39.49 94.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.168 0.509 . . . . 0.61 110.321 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -59.94 -41.81 92.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.923 -0.581 . . . . 2.49 110.58 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -58.76 -34.8 71.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.796 -0.638 . . . . 0.34 111.133 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1835 ' ' ILE . . . . . 0.411 HD11 ' C ' ' A' 1924 ' ' GLY . 55.6 mt -62.94 -48.19 89.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.608 . . . . 0.49 110.551 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -71.95 -41.07 68.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.981 -0.554 . . . . 0.72 111.646 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1837 ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.8 pt20 -62.45 -30.68 71.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.772 0.286 . . . . 1.0 111.772 -174.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1838 ' ' LEU . . . . . 0.487 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 61.8 mt -67.89 -31.72 71.71 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.812 0.339 . . . . 0.79 111.033 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 22.2 t70 -87.91 -40.37 14.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.478 -0.783 . . . . 1.79 110.379 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.13 -50.45 72.75 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.608 -0.724 . . . . 3.25 110.134 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1841 ' ' GLY . . . . . 0.54 ' O ' ' HE2' ' A' 1901 ' ' LYS . . . -119.34 92.44 0.53 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.233 -0.747 . . . . 1.73 111.233 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.09 -41.77 26.6 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.288 1.992 . . . . 2.43 112.041 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1843 ' ' MET . . . . . 0.493 ' HA ' HG22 ' A' 1905 ' ' VAL . 23.0 ptm -96.85 -159.31 0.72 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.561 -0.745 . . . . 5.03 111.314 -175.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 176.42 -160.77 28.59 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 111.016 -0.833 . . . . 1.86 111.016 -173.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -117.71 78.51 12.09 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.828 -0.434 . . . . 3.08 109.828 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.645 ' HG3' ' HB ' ' A' 1905 ' ' VAL . 12.0 Cg_endo -57.82 112.57 1.19 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.624 2.216 . . . . 1.21 111.657 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -82.68 -5.44 58.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.338 -0.846 . . . . 2.82 110.181 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -151.71 -173.46 21.49 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.622 -0.717 . . . . 1.14 111.429 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 33.7 t -80.16 168.0 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.794 0.297 . . . . 1.64 110.317 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.08 -34.37 74.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.68 110.366 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.8 p -60.47 -36.18 67.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 115.943 -0.571 . . . . 0.79 111.243 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.33 -52.45 27.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 1.71 110.092 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -61.59 -39.42 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 1.07 110.951 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.692 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 53.0 tt0 -54.88 -52.54 62.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 0.99 110.802 177.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.512 ' O ' ' HG3' ' A' 1859 ' ' ARG . 26.9 m -61.19 -43.26 99.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 1.46 110.846 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 13.5 m -66.71 -39.53 88.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.773 0.32 . . . . 0.42 110.998 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.8 mmm -64.94 -51.07 63.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.586 -0.279 . . . . 0.71 111.392 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.713 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.2 m -61.3 -40.64 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.704 -0.399 . . . . 0.29 111.479 -176.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' 1855 ' ' THR . 22.6 mtm180 -63.33 -43.24 98.32 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.824 0.345 . . . . 3.02 110.615 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.751 ' HB ' HD21 ' A' 1896 ' ' LEU . 25.4 m -69.81 -33.49 72.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.836 -0.62 . . . . 0.35 110.598 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.572 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.58 -42.21 95.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.25 110.248 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.713 ' HG3' ' O ' ' A' 1858 ' ' VAL . 77.6 mttt -66.56 -32.52 73.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.042 0.449 . . . . 1.31 109.857 175.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.99 -37.33 85.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.714 -0.675 . . . . 0.41 111.288 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.681 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -79.57 -26.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.403 -0.519 . . . . 0.28 109.749 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.835 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.52 -35.55 77.62 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.892 -0.594 . . . . 0.2 111.464 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.443 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 11.8 p -74.11 -26.57 21.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.18 0.514 . . . . 0.73 110.171 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 59.4 m -74.26 -46.51 40.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.814 -0.63 . . . . 0.25 110.934 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.906 HG21 ' HB ' ' A' 1957 ' ' VAL . 4.3 p -65.85 -35.64 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 0.28 110.754 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.501 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -70.27 -25.7 63.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.757 -0.46 . . . . 0.91 109.757 177.102 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' 1869 ' ' GLN . 10.1 tp10 -77.49 -31.3 53.51 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.32 -0.4 . . . . 0.57 110.14 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.63 ' SD ' HD22 ' A' 1882 ' ' LEU . 4.3 mmt -55.05 -45.86 75.29 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.924 -0.58 . . . . 1.25 111.645 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.513 HG23 HG23 ' A' 1951 ' ' ILE . 14.2 p -62.93 -38.79 82.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.275 0.559 . . . . 0.59 110.988 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 89.8 m -76.1 -43.78 41.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.584 -0.735 . . . . 0.44 111.196 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.956 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -68.2 -45.67 72.73 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.342 -0.39 . . . . 1.4 111.977 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 22.4 p -56.92 -27.79 61.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.767 0.318 . . . . 1.11 111.853 -175.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -65.91 -52.55 49.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.112 -0.495 . . . . 0.76 111.769 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 6.1 t -109.69 -26.91 9.63 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.967 0.728 . . . . 1.32 112.967 -172.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 15.0 m -135.29 79.06 50.31 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 122.208 -0.308 . . . . 1.17 110.905 -173.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.32 -28.43 63.54 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.852 2.368 . . . . 0.67 113.348 -177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.61 -17.13 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.526 -0.47 . . . . 2.24 110.864 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -77.59 -10.42 59.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.89 111.3 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.63 HD22 ' SD ' ' A' 1871 ' ' MET . 86.6 mt -70.99 -25.36 62.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.34 110.778 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1883 ' ' GLY . . . . . 0.406 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.51 -55.71 23.81 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.786 -0.721 . . . . 0.38 113.063 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' 1883 ' ' GLY . 10.8 Cg_endo -58.39 -31.39 93.87 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.258 1.972 . . . . 0.58 112.351 175.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.65 HD11 ' HG3' ' A' 1874 ' ' LYS . 84.1 mt -73.92 -42.27 60.86 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 120.7 0.285 . . . . 0.37 110.621 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1886 ' ' ALA . . . . . 0.454 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.23 -35.56 73.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.222 0.535 . . . . 0.36 109.595 175.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -66.83 -50.25 63.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.351 -0.84 . . . . 1.43 111.121 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.84 -47.42 78.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.722 -0.672 . . . . 1.07 111.408 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.512 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.4 tp -54.62 -43.69 72.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.105 0.478 . . . . 0.25 110.113 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1890 ' ' THR . . . . . 0.498 HG21 ' HB2' ' A' 1827 ' ' MET . 66.0 m -66.74 -47.04 73.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.478 -0.783 . . . . 0.28 111.502 178.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 3.5 t -68.1 -42.09 80.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.254 -0.43 . . . . 1.17 111.122 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -73.34 -34.52 65.7 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.952 -0.299 . . . . 0.8 111.157 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1893 ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 50.7 t80 -59.56 -40.44 87.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.866 0.365 . . . . 0.31 110.276 175.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.86 -30.81 53.91 Favored Glycine 0 CA--C 1.521 0.409 0 CA-C-N 115.837 -0.62 . . . . 0.31 112.771 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -68.84 -49.52 57.7 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.928 -0.397 . . . . 3.04 109.928 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.751 HD21 ' HB ' ' A' 1860 ' ' THR . 69.2 mt -57.29 -43.73 83.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 0.86 110.318 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1897 ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -63.43 -25.71 68.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.497 -0.774 . . . . 0.49 111.687 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 25.4 m -86.67 -47.11 9.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.814 0.34 . . . . 1.38 110.512 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.93 -27.39 66.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 1.56 111.895 -176.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -61.26 -25.3 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.023 0.379 . . . . 0.34 112.023 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.797 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 10.0 mtpm? -72.39 -59.68 2.47 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-O 119.496 -0.288 . . . . 2.27 111.223 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.797 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 34.9 Cg_exo -62.81 -32.48 77.67 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.972 1.781 . . . . 0.6 112.411 176.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.64 91.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.976 0.417 . . . . 0.39 110.686 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1904 ' ' ALA . . . . . 0.407 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -62.48 -32.85 73.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 0.46 111.045 178.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.645 ' HB ' ' HG3' ' A' 1846 ' ' PRO . 2.0 t -76.62 -39.89 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.028 -0.533 . . . . 1.26 110.818 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.03 66.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.685 -0.689 . . . . 0.64 110.857 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.02 143.64 54.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.939 -0.573 . . . . 0.85 110.293 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.37 -30.21 37.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.864 0.364 . . . . 2.67 111.359 -175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.481 ' HB3' HG12 ' A' 1912 ' ' ILE . 58.8 t30 -106.43 147.01 29.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.919 0.39 . . . . 2.18 111.03 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.76 -53.74 51.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.512 -0.767 . . . . 2.24 111.465 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1911 ' ' GLU . . . . . 0.573 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.7 mp0 -58.11 -29.2 65.3 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.978 -0.555 . . . . 2.49 111.392 -176.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.481 HG12 ' HB3' ' A' 1909 ' ' ASN . 48.9 mm -67.97 -46.0 82.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.58 0.228 . . . . 0.89 110.537 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -65.25 -40.74 96.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.68 -0.771 . . . . 0.51 111.709 178.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.98 89.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.169 0.509 . . . . 0.46 110.443 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' 1911 ' ' GLU . 5.3 t-80 -61.47 -45.46 94.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.438 -0.801 . . . . 1.62 110.93 -177.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.545 ' O ' HG23 ' A' 1920 ' ' VAL . 72.8 mt -59.53 -54.72 30.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.4 110.943 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.625 ' O ' ' HG2' ' A' 1921 ' ' GLN . 1.3 ptpm? -65.34 -32.34 73.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 1.36 111.259 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 7.9 m170 -69.58 -32.67 71.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.656 -0.247 . . . . 1.91 111.557 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.851 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 20.5 mmt180 -78.11 -25.23 47.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.821 0.343 . . . . 2.55 110.663 178.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' 1916 ' ' ILE . 48.6 t -72.31 -26.75 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.207 0.527 . . . . 0.35 109.795 174.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' 1917 ' ' LYS . 11.2 mm100 -61.33 -30.17 70.34 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.851 -0.613 . . . . 1.22 110.024 174.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.587 ' HG3' ' HA ' ' A' 1919 ' ' ARG . 2.2 mt-10 -63.81 -47.76 79.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.546 -0.752 . . . . 1.49 110.489 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.689 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 15.0 mt -70.12 -27.16 64.35 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.281 -0.637 . . . . 0.67 109.281 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1924 ' ' GLY . . . . . 0.411 ' C ' HD11 ' A' 1835 ' ' ILE . . . -56.18 -32.64 60.25 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.76 -0.733 . . . . 0.64 111.859 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -93.91 -48.48 6.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.691 0.281 . . . . 0.69 110.368 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -62.03 -52.86 47.13 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.155 -0.545 . . . . 0.25 113.096 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.689 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 91.3 m -64.68 -38.09 89.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.7 0.286 . . . . 1.22 110.551 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 11.8 t -63.04 -46.37 87.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.972 0.415 . . . . 1.03 110.244 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.48 97.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 0.28 110.803 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.456 HD12 HG21 ' A' 1957 ' ' VAL . 0.4 OUTLIER -61.96 -53.16 59.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.28 110.711 -178.302 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.731 ' HB ' HG21 ' A' 1824 ' ' VAL . 30.2 m -66.17 -31.78 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.396 -0.365 . . . . 0.26 110.968 -177.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 82.2 m -69.27 -42.72 75.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.8 110.675 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.749 ' HE3' HG23 ' A' 1946 ' ' THR . 40.6 tptt -66.64 -38.02 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 1.27 110.346 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -55.47 -41.56 73.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.3 111.116 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1935 ' ' GLY . . . . . 0.942 ' HA2' HG21 ' A' 1823 ' ' VAL . . . -54.98 -40.97 75.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.219 -0.515 . . . . 0.4 112.664 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -77.58 -34.83 53.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.775 0.322 . . . . 0.5 110.779 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.82 -36.31 75.51 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.154 -0.476 . . . . 0.41 110.054 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -69.56 -26.1 64.32 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.807 -0.357 . . . . 1.06 110.981 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 36.1 t -77.2 -19.19 57.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 1.43 110.313 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 43.0 m -149.25 70.15 9.85 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.8 110.075 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.83 -16.01 53.2 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.974 2.449 . . . . 0.69 112.912 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.4 m -96.15 10.37 37.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.856 -0.611 . . . . 1.54 111.345 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -94.14 121.9 36.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.91 0.386 . . . . 1.16 110.385 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 18.3 m -69.58 -40.59 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.074 -0.512 . . . . 1.33 112.198 -175.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -67.88 -49.52 61.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.83 -0.168 . . . . 1.91 111.365 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.749 HG23 ' HE3' ' A' 1933 ' ' LYS . 27.2 m -59.68 -36.72 77.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.945 0.402 . . . . 0.6 110.691 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -70.95 -44.67 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 1.2 110.584 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' 1952 ' ' GLU . 59.6 tttp -62.56 -42.4 99.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.52 -0.309 . . . . 2.67 110.827 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.531 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 47.0 mt-10 -58.56 -36.16 73.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 1.53 110.999 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.8 tt -69.79 -36.37 75.64 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.959 -0.385 . . . . 0.31 109.959 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.513 HG23 HG23 ' A' 1872 ' ' VAL . 86.6 mt -61.19 -43.01 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.35 109.816 173.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.657 ' O ' ' HG3' ' A' 1956 ' ' ARG . 65.4 mm-40 -63.0 -39.5 94.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.846 -0.616 . . . . 2.11 109.92 175.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' 1957 ' ' VAL . 74.7 m -60.72 -43.94 97.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.437 -0.347 . . . . 0.88 110.611 176.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.19 -52.11 65.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.25 111.597 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.553 ' O ' ' HG3' ' A' 1959 ' ' GLU . 14.2 ptm180 -58.14 -34.27 70.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.672 -0.24 . . . . 3.21 111.514 -176.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' 1952 ' ' GLU . 18.8 mtm180 -68.41 -41.73 80.0 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.732 0.301 . . . . 3.16 110.784 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.906 ' HB ' HG21 ' A' 1868 ' ' VAL . 59.4 t -63.42 -45.32 98.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.3 110.333 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 35.5 m -57.68 -34.87 69.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.614 . . . . 1.13 111.224 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' 1955 ' ' ARG . 45.0 mt-10 -64.39 -39.09 93.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.333 0.587 . . . . 1.86 110.316 176.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.1 mmtt -73.43 -31.99 64.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.593 -0.731 . . . . 0.65 111.027 -175.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.835 HG11 ' HB2' ' A' 1865 ' ' ALA . 46.5 t -57.23 -44.88 84.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.774 0.321 . . . . 0.27 110.737 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 8.8 t -59.91 -37.81 80.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 1.3 110.226 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.851 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 63.7 m80 -67.77 -40.52 84.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.942 -0.572 . . . . 1.11 111.024 178.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' 1960 ' ' LYS . 59.9 t -63.89 -47.72 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.35 110.074 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.04 -50.21 73.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.738 -0.665 . . . . 0.35 110.912 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.63 -24.32 67.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.947 -0.569 . . . . 0.4 111.774 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -63.72 -30.15 71.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.36 -0.382 . . . . 0.46 111.072 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.692 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -74.53 -46.89 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.5 111.44 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1969 ' ' GLN . . . . . 0.579 ' HA ' ' O ' ' A' 1972 ' ' ASN . 17.9 mp0 -69.36 -15.49 63.33 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.893 0.378 . . . . 1.7 111.165 -178.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -74.67 -20.55 59.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 0.93 110.302 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -99.04 -44.19 2.45 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.042 -0.599 . . . . 2.0 112.163 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1972 ' ' ASN . . . . . 0.579 ' O ' ' HA ' ' A' 1969 ' ' GLN . 65.1 t30 -147.93 156.6 42.86 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.367 -0.605 . . . . 5.01 109.367 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 61.7 mtm-85 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.685 -0.674 . . . . 7.5 110.547 -177.428 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.717 -0.553 . . . . 21.55 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 8.6 pt -129.5 96.41 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.196 0.522 . . . . 20.33 111.635 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.77 133.69 95.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.099 -0.704 . . . . 19.2 109.099 170.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -51.82 100.12 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.732 2.288 . . . . 18.2 113.049 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -104.31 -50.88 3.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.343 0.592 . . . . 20.33 110.016 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 9.2 p -92.36 112.32 24.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.498 -0.774 . . . . 16.69 111.851 -174.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -130.56 18.68 5.24 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.153 -1.055 . . . . 16.15 108.153 173.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -79.93 136.24 36.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.586 -1.188 . . . . 14.41 110.541 -170.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . 62.1 26.34 15.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.601 . . . . 12.08 111.805 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -76.56 -40.55 49.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.141 0.496 . . . . 10.45 109.754 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 24.7 m -136.11 89.12 2.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.696 -0.684 . . . . 8.54 110.36 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -119.4 6.65 11.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.093 -0.503 . . . . 6.8 110.567 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . 72.29 -37.19 0.38 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.909 0.884 . . . . 4.72 112.293 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 103.93 -8.02 49.58 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.367 -0.693 . . . . 3.52 111.367 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 17.3 m -63.14 -28.24 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.551 -0.324 . . . . 2.13 111.455 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.533 ' HA ' ' SD ' ' A' 1827 ' ' MET . 17.8 m -116.1 17.04 7.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.063 0.459 . . . . 1.83 111.212 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -68.88 129.59 24.35 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.741 -0.944 . . . . 2.1 110.741 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 91.04 -47.11 2.91 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.758 -0.937 . . . . 0.91 110.758 -172.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.533 ' SD ' ' HA ' ' A' 1824 ' ' VAL . 66.0 mtp -57.73 -49.08 77.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.265 0.555 . . . . 1.1 110.284 175.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.3 p -63.59 -27.32 42.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 0.74 110.67 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.28 -40.21 62.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.87 110.267 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 32.2 m -58.19 -40.62 82.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.97 110.288 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.521 HG23 ' CE2' ' A' 1893 ' ' TYR . 66.2 mt -64.9 -47.42 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.678 . . . . 0.32 110.649 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 27.4 m -62.79 -39.07 93.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.61 110.928 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -61.87 -44.64 96.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 2.49 110.354 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.559 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -55.71 -41.33 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.954 -0.566 . . . . 0.34 111.317 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.65 -48.37 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 0.49 111.083 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -77.19 -33.88 56.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.963 -0.562 . . . . 0.72 111.792 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1837 ' ' GLN . . . . . 0.559 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 14.9 pt20 -68.44 -28.88 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.224 -0.191 . . . . 1.0 111.058 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1838 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 1834 ' ' ALA . 78.8 mt -62.57 -34.57 77.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.021 0.439 . . . . 0.79 111.04 -177.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 26.3 t70 -72.3 -26.91 62.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.728 -0.669 . . . . 1.79 110.066 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -103.61 39.15 1.65 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.564 -0.744 . . . . 3.25 110.074 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1841 ' ' GLY . . . . . 0.536 ' HA2' ' HD2' ' A' 1901 ' ' LYS . . . -65.52 177.19 13.08 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.984 -0.627 . . . . 1.73 112.265 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1842 ' ' PRO . . . . . 0.622 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 61.3 Cg_exo -51.01 136.92 44.73 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.833 2.355 . . . . 2.43 111.934 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 88.0 mtp -67.34 -47.6 70.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.096 -0.502 . . . . 5.03 110.034 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -169.42 35.28 0.18 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.79 -0.719 . . . . 1.86 112.454 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -129.32 87.19 54.32 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.64 -0.424 . . . . 3.08 111.881 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.607 ' HG3' HG13 ' A' 1905 ' ' VAL . 1.5 Cg_endo -84.8 161.69 12.14 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.845 2.364 . . . . 1.21 110.623 165.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -90.42 -27.56 19.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.4 0.619 . . . . 2.82 109.64 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -133.07 -159.95 9.32 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.083 -0.807 . . . . 1.14 111.083 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 8.4 t -100.9 179.7 4.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.477 -0.564 . . . . 1.64 109.477 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' 1906 ' ' ALA . 60.2 t80 -60.77 -38.16 84.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.76 -0.2 . . . . 0.68 111.178 -176.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.3 p -59.07 -38.15 72.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.829 0.347 . . . . 0.79 111.364 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.83 -46.41 78.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 1.71 110.673 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.467 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 78.8 m-85 -76.06 -37.57 58.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.826 -0.625 . . . . 1.07 111.29 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.66 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 29.4 tt0 -56.56 -54.53 44.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.661 0.267 . . . . 0.99 111.039 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.495 ' O ' ' HG3' ' A' 1859 ' ' ARG . 17.1 p -59.35 -41.0 88.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 1.46 111.051 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 21.1 m -70.47 -40.35 73.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.318 -0.401 . . . . 0.42 111.007 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.472 ' SD ' ' HA ' ' A' 1900 ' ' ALA . 47.8 mtp -63.87 -50.79 67.42 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 111.723 0.268 . . . . 0.71 111.723 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.74 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.3 m -59.89 -33.16 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.712 -0.395 . . . . 0.29 110.806 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' 1855 ' ' THR . 62.3 mtp180 -67.79 -45.06 75.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 3.02 110.727 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.68 ' HB ' HD23 ' A' 1896 ' ' LEU . 6.4 m -70.29 -33.75 71.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.35 110.587 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.505 ' HB3' HD21 ' A' 1965 ' ' LEU . . . -62.22 -46.08 90.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.25 110.627 176.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.74 ' HG3' ' O ' ' A' 1858 ' ' VAL . 83.0 mttt -61.94 -31.33 71.64 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.953 0.406 . . . . 1.31 110.478 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.33 93.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.41 111.149 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.635 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -76.78 -26.83 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.627 -0.429 . . . . 0.28 110.117 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.781 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -69.05 -42.62 76.04 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.183 -0.462 . . . . 0.2 111.093 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.481 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.6 p -71.69 -23.97 22.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.213 0.53 . . . . 0.73 110.004 177.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 97.1 m -67.39 -52.34 41.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.883 -0.599 . . . . 0.25 110.563 173.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.773 HG21 ' HB ' ' A' 1957 ' ' VAL . 4.4 p -65.99 -34.95 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.432 -0.349 . . . . 0.28 111.416 -177.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.481 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.7 OUTLIER -66.77 -29.1 68.97 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.758 -0.46 . . . . 0.91 109.758 177.191 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -77.8 -35.83 50.98 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.226 -0.443 . . . . 0.57 109.938 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.497 ' SD ' ' HB2' ' A' 1885 ' ' LEU . 35.5 mmm -58.56 -46.81 86.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.366 -0.379 . . . . 1.25 111.385 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.42 ' CG2' HG23 ' A' 1951 ' ' ILE . 7.3 p -62.69 -32.29 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.532 0.682 . . . . 0.59 110.752 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 93.8 m -80.38 -44.59 19.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.201 -0.909 . . . . 0.44 110.733 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.66 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 7.1 mmpt? -67.13 -37.93 84.68 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.975 -0.557 . . . . 1.4 111.211 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 24.7 t -54.53 -24.41 20.68 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.808 0.299 . . . . 1.11 111.808 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -75.54 -52.2 11.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.891 0.33 . . . . 0.76 111.891 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 3.8 t -108.12 -16.76 14.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.48 0.548 . . . . 1.32 112.48 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 4.1 m -146.44 75.38 12.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.78 -0.452 . . . . 1.17 109.78 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -72.01 -13.6 28.93 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.488 2.125 . . . . 0.67 112.816 -174.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1880 ' ' GLU . . . . . 0.504 ' HA ' ' HG2' ' A' 1938 ' ' GLN . 0.1 OUTLIER -92.74 -20.23 20.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.949 0.404 . . . . 2.24 110.271 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -71.14 -9.44 58.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 1.89 110.834 173.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1882 ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.42 -25.45 68.02 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.76 -0.655 . . . . 0.34 110.365 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1883 ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.02 -55.51 26.14 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.985 -0.626 . . . . 0.38 113.37 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' 1883 ' ' GLY . 12.9 Cg_endo -59.83 -37.04 88.9 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.239 1.959 . . . . 0.58 112.47 175.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.62 HD11 ' HG3' ' A' 1874 ' ' LYS . 72.5 mt -71.98 -44.27 63.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.564 -0.289 . . . . 0.37 110.753 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.54 68.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.113 0.483 . . . . 0.36 109.869 174.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1887 ' ' ASN . . . . . 0.416 ' HA ' ' HE3' ' A' 1827 ' ' MET . 10.0 t-20 -71.57 -37.27 71.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.564 . . . . 1.43 110.784 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -69.77 -44.3 70.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.353 -0.385 . . . . 1.07 110.158 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.515 HD12 ' HB ' ' A' 1864 ' ' ILE . 45.2 tp -58.56 -33.52 70.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.25 110.134 176.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1890 ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' 1827 ' ' MET . 54.3 m -74.85 -51.45 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.646 -0.706 . . . . 0.28 111.433 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1891 ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' 1895 ' ' ARG . 16.1 p -66.58 -49.99 64.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.497 . . . . 1.17 110.911 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.486 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 6.1 m-20 -64.1 -28.84 70.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.543 -0.753 . . . . 0.8 111.532 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1893 ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 63.8 t80 -66.06 -45.01 82.86 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.51 -0.476 . . . . 0.31 109.916 174.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.57 -39.89 91.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.31 111.727 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.486 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 94.0 mtt180 -63.98 -50.69 67.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.206 0.527 . . . . 3.04 110.302 175.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.68 HD23 ' HB ' ' A' 1860 ' ' THR . 1.3 tm? -62.55 -40.1 95.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.542 -0.753 . . . . 0.86 110.997 -177.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -69.49 -37.16 77.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.778 0.323 . . . . 0.49 111.098 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 9.5 t -64.38 -35.94 82.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.047 0.451 . . . . 1.38 110.03 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -77.18 -24.81 51.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.734 -0.667 . . . . 1.56 111.051 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1900 ' ' ALA . . . . . 0.472 ' HA ' ' SD ' ' A' 1857 ' ' MET . . . -68.98 -36.5 77.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.536 . . . . 0.34 112.09 -175.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.827 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 42.0 mtmt -59.65 -58.17 21.41 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 121.132 -0.227 . . . . 2.27 111.526 -178.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.827 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 21.7 Cg_exo -65.42 -29.14 53.92 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.128 1.886 . . . . 0.6 112.375 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1903 ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' 1853 ' ' TYR . . . -62.19 -46.02 90.81 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.149 0.5 . . . . 0.39 110.358 176.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1904 ' ' ALA . . . . . 0.466 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -60.75 -48.67 80.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.239 -0.891 . . . . 0.46 111.493 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.607 HG13 ' HG3' ' A' 1846 ' ' PRO . 12.2 p -70.4 -24.36 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.743 0.306 . . . . 1.26 111.33 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1906 ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -92.73 3.61 55.29 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.342 -0.224 . . . . 0.64 111.504 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.38 159.11 34.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.018 0.437 . . . . 0.85 111.347 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.01 -42.87 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 2.67 110.632 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.791 ' HB2' HG12 ' A' 1912 ' ' ILE . 61.8 m-20 -117.07 141.15 48.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.048 -0.524 . . . . 2.18 110.08 -178.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -57.74 -35.56 70.87 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.49 0.494 . . . . 2.24 110.744 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -65.11 -37.32 87.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 2.49 110.87 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.791 HG12 ' HB2' ' A' 1909 ' ' ASN . 51.6 mm -65.71 -44.66 93.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.648 -0.501 . . . . 0.89 109.648 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.26 -47.2 92.25 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.822 -0.704 . . . . 0.51 111.72 176.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.94 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.274 0.559 . . . . 0.46 110.342 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.8 t-80 -63.66 -40.49 96.98 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.314 -0.857 . . . . 1.62 110.627 -177.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' 1920 ' ' VAL . 82.3 mt -59.51 -53.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.719 0.295 . . . . 0.4 110.385 176.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' 1921 ' ' GLN . 92.9 mttt -54.86 -48.33 73.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.861 -0.609 . . . . 1.36 111.008 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 49.1 m80 -71.06 -28.48 64.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.842 -0.617 . . . . 1.91 112.185 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.694 ' HB3' HG22 ' A' 1964 ' ' VAL . 16.8 mmm180 -70.88 -36.82 72.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.723 0.297 . . . . 2.55 110.762 177.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' 1916 ' ' ILE . 37.8 t -72.9 -22.69 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.951 0.405 . . . . 0.35 110.452 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' 1917 ' ' LYS . 11.5 mm100 -60.56 -32.25 71.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.147 0.499 . . . . 1.22 109.899 174.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.14 -49.75 73.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.326 -0.852 . . . . 1.49 111.174 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.669 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 11.0 mt -65.15 -28.75 69.63 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.123 -0.695 . . . . 0.67 109.123 175.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1924 ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -56.6 -34.01 63.55 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.971 -0.633 . . . . 0.64 112.316 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -95.96 -43.3 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.618 0.247 . . . . 0.69 110.596 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.82 -53.45 27.29 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.144 -0.551 . . . . 0.25 112.835 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.669 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 96.9 m -63.97 -36.43 83.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.695 0.283 . . . . 1.22 110.421 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1928 ' ' SER . . . . . 0.411 ' HB2' HG21 ' A' 1831 ' ' ILE . 9.5 t -62.72 -47.53 83.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 1.03 109.951 176.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.82 92.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 0.28 110.761 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.646 HD11 HG23 ' A' 1868 ' ' VAL . 0.5 OUTLIER -63.33 -51.93 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.28 111.339 -178.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 16.6 m -67.25 -34.2 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.955 0.407 . . . . 0.26 110.774 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1932 ' ' THR . . . . . 0.41 ' HA ' HG21 ' A' 1824 ' ' VAL . 94.6 m -68.21 -41.66 80.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.8 110.389 176.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.5 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 36.2 tptt -67.15 -39.29 86.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.831 -0.622 . . . . 1.27 110.236 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.82 77.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.049 -0.523 . . . . 0.3 111.173 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.09 84.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.4 112.459 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.49 -29.37 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 0.5 110.869 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -77.54 -36.37 52.38 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.552 -0.536 . . . . 0.41 109.552 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' A' 1880 ' ' GLU . 17.6 mt-30 -65.61 -25.52 67.42 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.924 0.392 . . . . 1.06 110.945 175.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 54.0 t -66.74 -27.97 68.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 1.43 110.278 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 55.8 m -154.25 76.74 5.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.532 -0.544 . . . . 0.8 109.532 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.84 -14.35 31.8 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.207 2.605 . . . . 0.69 112.582 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 28.4 m -85.41 -12.21 52.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.655 -0.702 . . . . 1.54 111.35 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.37 120.06 17.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 1.16 110.411 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 39.0 t -72.64 -44.94 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.113 -0.494 . . . . 1.33 111.531 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.433 ' O ' ' HG3' ' A' 1949 ' ' GLU . 41.6 t80 -66.25 -46.67 76.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 1.91 111.117 -174.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.483 HG23 ' HE3' ' A' 1933 ' ' LYS . 25.6 m -61.47 -38.27 86.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.068 0.461 . . . . 0.6 110.602 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' 1951 ' ' ILE . 38.1 ttpt -67.16 -44.78 78.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.796 -0.638 . . . . 1.2 110.114 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -55.31 -44.51 75.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 2.67 110.838 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.5 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 48.8 mt-10 -64.47 -39.48 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 1.53 111.369 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.62 -38.23 86.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.102 -0.333 . . . . 0.31 110.102 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' 1947 ' ' LYS . 89.6 mt -58.4 -40.75 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.35 110.165 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' 1956 ' ' ARG . 5.5 mm-40 -65.7 -45.52 82.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.903 -0.589 . . . . 2.11 110.46 175.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.711 ' HA ' ' HD3' ' A' 1956 ' ' ARG . 85.5 m -57.61 -40.96 80.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.88 110.661 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.417 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -61.58 -44.59 96.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.226 -0.443 . . . . 0.25 110.928 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -61.51 -40.57 95.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 3.21 110.515 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.711 ' HD3' ' HA ' ' A' 1953 ' ' CYS . 74.3 mtp180 -62.16 -50.37 72.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.736 -0.666 . . . . 3.16 111.148 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.773 ' HB ' HG21 ' A' 1868 ' ' VAL . 74.7 t -63.76 -44.28 98.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.3 111.681 -177.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.3 m -57.32 -35.88 70.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.922 0.391 . . . . 1.13 111.077 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -72.37 -32.55 66.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.195 -0.457 . . . . 1.86 111.37 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.64 ' O ' HG23 ' A' 1964 ' ' VAL . 73.8 mmtt -65.47 -43.99 88.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.153 -0.476 . . . . 0.65 110.625 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.781 HG11 ' HB2' ' A' 1865 ' ' ALA . 22.0 t -54.92 -44.86 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 O-C-N 123.661 0.601 . . . . 0.27 111.245 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 5.4 m -56.38 -41.69 76.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.007 0.432 . . . . 1.3 110.915 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.484 ' HB2' ' NH2' ' A' 1919 ' ' ARG . 13.9 m-70 -77.82 -23.18 49.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 1.11 111.088 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.694 HG22 ' HB3' ' A' 1919 ' ' ARG . 58.3 t -73.69 -43.32 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.877 -0.416 . . . . 0.35 109.877 175.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' 1861 ' ' ALA . 69.3 mt -61.09 -37.66 83.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.35 110.59 177.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -59.67 -24.49 63.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.798 -0.637 . . . . 0.4 111.607 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.97 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.46 110.796 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.66 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.2 mm? -72.35 -51.21 21.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.5 110.582 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -62.62 -19.17 63.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 1.7 111.585 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -71.09 -23.49 62.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.028 -0.533 . . . . 0.93 111.028 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -87.97 -104.75 0.93 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.432 -0.667 . . . . 2.0 111.432 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1972 ' ' ASN . . . . . 0.434 ' H ' ' HE2' ' A' 1850 ' ' PHE . 94.7 m-20 -70.89 133.24 46.28 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.561 -0.533 . . . . 5.01 109.561 175.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.182 -0.913 . . . . 7.5 110.614 -172.344 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 112.023 -0.431 . . . . 21.55 112.023 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 8.5 tp -155.0 -36.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.033 0.444 . . . . 20.33 110.322 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1811 ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' 1812 ' ' PRO . 4.8 m-20 -90.88 151.58 43.62 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.087 -0.708 . . . . 19.2 109.087 172.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1812 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1811 ' ' ASP . 7.5 Cg_exo -73.82 24.56 0.33 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.061 2.507 . . . . 18.2 112.913 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -147.07 -179.68 6.99 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.115 -1.068 . . . . 20.33 108.115 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 29.6 m -61.28 130.71 47.51 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 110.167 -0.308 . . . . 16.69 110.167 175.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 49.0 t30 -70.91 95.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.08 0.467 . . . . 16.15 111.1 -176.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -129.36 -9.3 4.68 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.692 -0.685 . . . . 14.41 109.68 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -75.96 -27.47 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.765 -0.652 . . . . 12.08 110.561 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -90.45 -179.59 5.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.913 -0.585 . . . . 10.45 110.129 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 18.3 t 62.55 23.67 14.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.546 0.689 . . . . 8.54 110.006 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -67.63 -29.25 68.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.584 -0.734 . . . . 6.8 110.451 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1821 ' ' ALA . . . . . 0.544 ' HB3' ' HA3' ' A' 1825 ' ' GLY . . . -150.8 104.73 3.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.733 -0.667 . . . . 4.72 110.613 177.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -65.11 -21.17 67.78 Favored Glycine 0 N--CA 1.453 -0.186 0 N-CA-C 111.67 -0.572 . . . . 3.52 111.67 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1823 ' ' VAL . . . . . 0.416 HG11 ' SG ' ' A' 1939 ' ' CYS . 31.2 m -88.37 34.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.142 0.496 . . . . 2.13 110.482 174.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.567 HG11 ' HB ' ' A' 1931 ' ' VAL . 96.6 t 72.2 100.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.902 0.858 . . . . 1.83 111.762 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1825 ' ' GLY . . . . . 0.544 ' HA3' ' HB3' ' A' 1821 ' ' ALA . . . -158.85 152.6 23.7 Favored Glycine 0 N--CA 1.442 -0.967 0 CA-C-N 114.862 -1.063 . . . . 2.1 110.783 174.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 81.53 -56.5 4.9 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.049 -0.596 . . . . 0.91 111.827 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1827 ' ' MET . . . . . . . . . . . . . 24.7 ptt? -70.4 -17.26 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 1.1 111.039 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 13.0 p -64.81 -27.76 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.3 0.571 . . . . 0.74 109.794 177.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.99 -36.27 80.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.49 -0.777 . . . . 0.87 110.773 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 8.7 t -60.56 -39.97 89.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.97 110.274 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 57.1 mt -63.94 -49.18 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.32 110.212 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 8.9 m -60.11 -45.72 92.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.61 110.94 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.75 -36.77 85.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.336 -0.393 . . . . 2.49 110.808 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -63.01 -28.23 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.34 111.577 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.24 -47.92 79.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.114 0.483 . . . . 0.49 110.42 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -66.09 -37.41 85.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.584 -0.734 . . . . 0.72 112.545 -172.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -62.4 -28.84 70.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.919 0.39 . . . . 1.0 111.467 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1838 ' ' LEU . . . . . 0.638 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 91.0 mt -79.85 -34.07 39.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.79 111.204 -177.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.77 -36.06 28.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.416 . . . . 1.79 110.563 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.98 -56.49 21.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.803 -0.635 . . . . 3.25 111.26 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -157.86 142.85 8.86 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.413 -0.898 . . . . 1.73 112.432 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -92.23 21.16 0.75 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.273 2.649 . . . . 2.43 112.388 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 27.1 ptt? -79.39 158.98 27.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.166 -0.47 . . . . 5.03 110.525 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 174.69 165.5 31.2 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.933 -0.651 . . . . 1.86 111.503 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -115.91 83.38 11.86 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.706 0.289 . . . . 3.08 110.279 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.425 ' HA ' ' OH ' ' A' 1853 ' ' TYR . 18.5 Cg_endo -61.45 119.77 7.08 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.435 2.09 . . . . 1.21 111.891 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -82.24 -10.68 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.598 -0.728 . . . . 2.82 109.911 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -138.72 -165.99 10.47 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.393 -0.821 . . . . 1.14 111.259 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 8.4 p -86.33 174.3 9.14 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.705 0.288 . . . . 1.64 110.723 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.85 -46.11 85.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.68 110.416 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 5.3 p -60.49 -34.22 57.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.333 -0.394 . . . . 0.79 111.321 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.32 -53.02 62.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.974 0.416 . . . . 1.71 110.532 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.425 ' OH ' ' HA ' ' A' 1846 ' ' PRO . 66.7 m-85 -67.54 -35.77 79.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.203 -0.453 . . . . 1.07 110.809 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.624 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.9 tt0 -57.05 -56.83 16.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.223 -0.444 . . . . 0.99 110.968 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.418 ' HA ' HG22 ' A' 1858 ' ' VAL . 3.7 t -63.47 -28.04 69.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 1.46 110.473 -176.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 33.3 m -74.76 -43.47 54.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.166 0.508 . . . . 0.42 110.421 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.2 mtp -69.95 -43.87 70.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.71 111.656 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.639 ' O ' ' HG2' ' A' 1862 ' ' LYS . 33.5 m -63.64 -38.21 81.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.478 -0.489 . . . . 0.29 110.871 -177.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -64.45 -43.05 95.47 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.042 0.449 . . . . 3.02 110.589 176.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.439 ' HB ' HD21 ' A' 1896 ' ' LEU . 38.7 m -67.3 -33.46 75.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.032 -0.531 . . . . 0.35 110.278 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.93 -38.38 90.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.25 110.222 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' 1858 ' ' VAL . 60.0 mmtt -61.26 -40.22 93.28 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.314 -0.625 . . . . 1.31 109.314 174.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.29 -40.64 81.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.161 -0.927 . . . . 0.41 111.674 -177.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.749 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -73.17 -28.48 26.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.227 -0.589 . . . . 0.28 109.789 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.778 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.47 -42.42 71.44 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.187 -0.46 . . . . 0.2 111.088 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.491 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.6 p -67.89 -27.61 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.312 -0.555 . . . . 0.73 109.883 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 92.0 m -68.27 -52.83 29.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.006 -0.543 . . . . 0.25 110.743 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.742 HG23 HD11 ' A' 1930 ' ' LEU . 2.9 p -65.03 -36.51 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.157 -0.217 . . . . 0.28 111.054 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.491 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -69.36 -26.49 64.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.148 0.499 . . . . 0.91 109.744 177.757 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.4 -35.39 54.36 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.739 -0.467 . . . . 0.57 109.739 176.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1871 ' ' MET . . . . . . . . . . . . . 27.7 mmm -60.27 -49.1 78.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.549 -0.296 . . . . 1.25 111.105 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.495 HG23 HG23 ' A' 1951 ' ' ILE . 4.8 p -62.56 -41.56 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.433 0.635 . . . . 0.59 110.706 178.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 42.6 m -67.85 -46.04 72.87 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.194 -0.912 . . . . 0.44 111.193 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1874 ' ' LYS . . . . . 1.006 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -66.97 -31.06 71.39 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 116.457 -0.338 . . . . 1.4 111.736 -178.811 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 56.1 m -62.13 -24.77 67.35 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 120.237 -0.585 . . . . 1.11 110.898 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -81.86 -32.92 30.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.872 -0.604 . . . . 0.76 111.698 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 3.5 p -109.73 -45.71 3.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.125 0.787 . . . . 1.32 113.125 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 71.5 m -143.14 87.61 8.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.327 -0.397 . . . . 1.17 111.061 -169.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -70.32 -2.27 10.3 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.72 2.28 . . . . 0.67 112.604 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.3 -24.5 37.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.037 0.446 . . . . 2.24 110.681 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' 1885 ' ' LEU . 49.7 mm-40 -81.02 -10.73 59.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 1.89 111.822 -176.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.506 HD12 HD12 ' A' 1937 ' ' LEU . 74.2 mt -64.43 -34.66 78.7 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.042 0.386 . . . . 0.34 112.042 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -61.75 -55.47 28.38 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 120.544 -0.836 . . . . 0.38 112.778 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.28 -39.17 86.9 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.694 2.263 . . . . 0.58 112.871 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.468 HD11 ' HG3' ' A' 1874 ' ' LYS . 75.6 mt -70.41 -45.24 66.32 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.03 -0.268 . . . . 0.37 110.951 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1886 ' ' ALA . . . . . 0.47 ' HB1' HG12 ' A' 1931 ' ' VAL . . . -57.8 -32.38 67.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.169 0.509 . . . . 0.36 109.984 173.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 2.9 t30 -68.44 -48.18 65.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 1.43 110.575 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -65.98 -41.93 90.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.734 -0.666 . . . . 1.07 110.533 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 55.1 tp -56.51 -42.38 78.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.238 0.542 . . . . 0.25 109.719 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 36.7 m -63.46 -46.66 85.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.428 -0.805 . . . . 0.28 111.344 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 11.0 t -66.48 -49.87 65.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 1.17 111.359 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.85 -28.68 66.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.214 -0.448 . . . . 0.8 111.796 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 46.3 t80 -64.67 -41.51 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.93 -0.308 . . . . 0.31 110.653 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -68.15 -33.93 79.74 Favored Glycine 0 CA--C 1.505 -0.538 0 N-CA-C 110.306 -1.118 . . . . 0.31 110.306 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.73 -45.1 94.32 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.382 -0.909 . . . . 3.04 110.14 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.439 HD21 ' HB ' ' A' 1860 ' ' THR . 28.7 mt -59.33 -51.56 69.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.86 110.98 174.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1897 ' ' ALA . . . . . 0.435 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -60.46 -43.91 96.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.87 -0.605 . . . . 0.49 112.197 -176.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 73.1 m -61.9 -39.94 93.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.807 -0.179 . . . . 1.38 111.314 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.4 ' C ' ' HD2' ' A' 1902 ' ' PRO . 93.9 mt-30 -77.29 -23.82 51.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.647 0.261 . . . . 1.56 111.525 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.46 -32.23 73.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.34 111.931 -177.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.747 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 9.1 mtpm? -64.76 -55.55 27.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.679 -0.237 . . . . 2.27 111.338 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.747 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 33.9 Cg_exo -59.93 -31.38 93.6 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.019 1.812 . . . . 0.6 112.208 173.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.28 96.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.39 110.645 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -64.71 -43.95 91.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.99 -0.55 . . . . 0.46 111.427 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' 1902 ' ' PRO . 11.8 p -75.56 -28.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.534 -0.303 . . . . 1.26 111.427 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.29 -13.96 56.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.64 110.95 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.45 142.39 56.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.036 -0.529 . . . . 0.85 110.662 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.77 -1.8 44.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.17 0.509 . . . . 2.67 110.738 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.513 ' HB3' HG12 ' A' 1912 ' ' ILE . 53.4 t-20 -141.26 128.18 20.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.196 -0.668 . . . . 2.18 109.196 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -66.26 -33.84 76.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.66 0.267 . . . . 2.24 110.782 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.3 -35.42 77.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 2.49 110.342 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.533 ' O ' HG13 ' A' 1916 ' ' ILE . 47.2 mm -66.05 -51.08 64.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.905 -0.588 . . . . 0.89 110.059 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.54 -40.67 99.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.918 -0.658 . . . . 0.51 112.248 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1914 ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' A' 1917 ' ' LYS . . . -64.33 -39.66 94.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.996 0.427 . . . . 0.46 110.541 176.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.459 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.6 t-80 -65.87 -37.96 87.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.104 -0.498 . . . . 1.62 109.984 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' 1912 ' ' ILE . 92.1 mt -63.15 -55.3 24.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.198 -0.456 . . . . 0.4 110.811 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.654 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.9 ptpt -60.37 -40.24 90.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.36 111.055 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1918 ' ' HIS . . . . . 0.458 ' N ' ' HG3' ' A' 1917 ' ' LYS . 27.4 m170 -70.3 -26.68 63.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.607 -0.27 . . . . 1.91 111.592 -175.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.801 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 23.2 mmt180 -79.44 -26.59 41.76 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.827 -0.349 . . . . 2.55 110.947 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' 1916 ' ' ILE . 28.9 t -72.86 -28.43 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.086 -0.709 . . . . 0.35 109.086 172.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' 1917 ' ' LYS . 10.1 mm100 -62.03 -40.71 96.65 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.337 -0.616 . . . . 1.22 109.337 172.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.923 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 1.6 mt-10 -55.51 -49.74 71.8 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.418 -0.81 . . . . 1.49 109.734 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.15 -41.64 97.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.196 -0.911 . . . . 0.67 111.02 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.59 -45.93 66.87 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.25 -0.5 . . . . 0.64 112.782 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -75.53 -41.03 56.1 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.93 -0.308 . . . . 0.69 110.636 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.98 -52.34 28.99 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.977 -0.63 . . . . 0.25 112.842 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 77.3 m -62.66 -37.69 87.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.596 0.198 . . . . 1.22 111.056 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 23.4 t -58.28 -47.83 82.4 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.231 0.539 . . . . 1.03 109.994 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.17 95.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.572 -0.74 . . . . 0.28 110.532 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.742 HD11 HG23 ' A' 1868 ' ' VAL . 1.6 mt -59.31 -53.22 60.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.797 -0.638 . . . . 0.28 111.577 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.567 ' HB ' HG11 ' A' 1824 ' ' VAL . 26.7 m -66.18 -34.76 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.26 110.893 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 92.0 m -68.1 -43.26 78.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.139 -0.482 . . . . 0.8 110.838 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.501 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.9 tptt -67.85 -40.19 83.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 1.27 110.177 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1934 ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -61.86 -37.95 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.3 111.159 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.23 -41.07 96.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.757 -0.735 . . . . 0.4 111.753 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.96 -33.71 63.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.952 0.406 . . . . 0.5 110.641 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.506 HD12 HD12 ' A' 1882 ' ' LEU . 2.8 tm? -69.6 -36.47 76.25 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 116.117 -0.492 . . . . 0.41 110.08 -177.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -70.48 -26.31 63.56 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.445 -0.502 . . . . 1.06 111.225 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1939 ' ' CYS . . . . . 0.416 ' SG ' HG11 ' A' 1823 ' ' VAL . 78.0 m -77.24 -29.35 54.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.963 0.411 . . . . 1.43 110.259 174.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 5.2 m -135.23 69.29 69.32 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.05 -0.523 . . . . 0.8 109.804 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.21 -6.42 17.29 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.605 2.204 . . . . 0.69 112.401 -174.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 49.7 m -108.76 9.06 27.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.669 -0.696 . . . . 1.54 111.061 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -91.3 111.83 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.851 -0.425 . . . . 1.16 109.851 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 31.1 m -67.42 -36.85 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.33 111.728 -174.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 51.0 t80 -63.61 -50.47 69.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.946 -0.57 . . . . 1.91 111.027 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.423 ' HA ' ' HE3' ' A' 1933 ' ' LYS . 32.0 m -61.77 -41.9 98.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.267 -0.424 . . . . 0.6 110.917 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.425 ' HB2' HD21 ' A' 1937 ' ' LEU . 38.6 ttpt -66.09 -45.63 80.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 1.2 110.603 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 83.9 tttt -57.22 -46.13 83.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.834 -0.621 . . . . 2.67 110.838 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.501 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 28.2 mt-10 -64.5 -37.63 88.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 1.53 111.461 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.34 -37.89 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.806 -0.442 . . . . 0.31 109.806 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.495 HG23 HG23 ' A' 1872 ' ' VAL . 76.7 mt -58.31 -46.79 88.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.799 -0.445 . . . . 0.35 109.799 173.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' 1956 ' ' ARG . 25.6 mm-40 -59.23 -48.37 81.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.901 -0.59 . . . . 2.11 110.847 175.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' 1957 ' ' VAL . 81.8 m -57.29 -45.13 84.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.88 110.688 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.412 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -61.36 -43.64 98.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.25 111.07 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.498 ' O ' ' HG3' ' A' 1959 ' ' GLU . 57.7 mtp180 -61.16 -41.97 97.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.45 . . . . 3.21 110.358 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' 1960 ' ' LYS . 77.8 mtp180 -64.57 -43.49 93.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.061 -0.518 . . . . 3.16 111.135 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.656 ' HB ' HG21 ' A' 1868 ' ' VAL . 87.6 t -66.08 -38.44 82.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.543 -0.299 . . . . 0.3 110.823 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 35.1 t -56.19 -37.3 69.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 1.13 110.215 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' 1955 ' ' ARG . 38.1 mt-10 -69.82 -33.38 72.24 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.099 -0.501 . . . . 1.86 110.433 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.923 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.2 mmtt -67.2 -35.85 80.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.863 -0.608 . . . . 0.65 110.159 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.778 HG11 ' HB2' ' A' 1865 ' ' ALA . 43.9 t -58.28 -46.16 89.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.381 -0.372 . . . . 0.27 110.564 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 47.9 t -59.71 -37.4 78.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 1.3 110.053 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.801 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 24.8 m170 -65.03 -41.08 95.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.521 . . . . 1.11 110.871 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' 1960 ' ' LYS . 61.5 t -69.01 -45.33 80.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.35 110.56 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.7 -45.34 94.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.175 -0.466 . . . . 0.35 110.665 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.79 66.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 0.4 111.189 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.56 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.46 110.382 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.624 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -70.01 -46.28 65.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.054 -0.521 . . . . 0.5 110.48 176.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1969 ' ' GLN . . . . . 0.687 ' HA ' ' OD1' ' A' 1972 ' ' ASN . 2.4 mp0 -63.03 -21.73 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 1.7 111.835 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -67.65 -21.23 65.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.028 0.442 . . . . 0.93 110.617 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -93.55 4.74 73.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.961 -0.638 . . . . 2.0 112.522 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1972 ' ' ASN . . . . . 0.687 ' OD1' ' HA ' ' A' 1969 ' ' GLN . 21.5 m120 -88.21 115.52 25.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.83 0.348 . . . . 5.01 110.687 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.775 -0.631 . . . . 7.5 110.153 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 112.302 -0.319 . . . . 21.55 112.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 44.7 pt -98.84 -16.87 6.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.106 0.479 . . . . 20.33 110.909 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -94.82 165.03 17.98 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.937 -0.574 . . . . 19.2 109.66 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -48.22 121.13 5.7 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.748 2.299 . . . . 18.2 112.391 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1813 ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' 1815 ' ' ASN . 25.6 p90 -70.88 -22.11 62.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.03 -0.532 . . . . 20.33 111.142 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 32.9 m 62.55 90.21 0.08 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.464 0.649 . . . . 16.69 111.384 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1815 ' ' ASN . . . . . 0.436 ' HB3' ' CE1' ' A' 1813 ' ' PHE . 27.6 t30 -156.09 92.9 1.38 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.626 -0.716 . . . . 16.15 109.959 177.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 56.45 76.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.25 -0.886 . . . . 14.41 111.779 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -156.82 93.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.62 -0.718 . . . . 12.08 110.14 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -99.47 153.66 18.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.28 -0.418 . . . . 10.45 110.965 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 12.3 m -74.08 105.35 5.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.487 -0.56 . . . . 8.54 109.487 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -84.79 164.19 18.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.212 -0.449 . . . . 6.8 111.606 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . 76.89 -54.03 0.57 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 124.323 1.015 . . . . 4.72 112.291 175.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 81.99 -49.52 4.11 Favored Glycine 0 N--CA 1.453 -0.169 0 N-CA-C 111.231 -0.748 . . . . 3.52 111.231 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 29.8 m -85.87 -178.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.553 -0.536 . . . . 2.13 109.553 172.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1824 ' ' VAL . . . . . . . . . . . . . 87.4 t -96.91 91.35 2.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.67 0.748 . . . . 1.83 111.061 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -146.65 118.04 1.0 Allowed Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.788 -1.096 . . . . 2.1 110.685 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 121.36 -61.0 0.54 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.715 -0.755 . . . . 0.91 111.758 -174.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1827 ' ' MET . . . . . . . . . . . . . 27.3 ptt? -75.99 -19.08 59.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 1.1 110.953 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 13.5 p -67.89 -23.87 29.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.15 0.5 . . . . 0.74 110.077 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.36 -30.46 71.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.712 -0.677 . . . . 0.87 110.456 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 46.1 m -66.29 -32.39 73.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.97 110.67 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.521 HG23 ' CE2' ' A' 1893 ' ' TYR . 66.7 mt -70.11 -46.17 73.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.089 -0.505 . . . . 0.32 110.097 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 4.4 m -65.71 -37.87 87.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.846 -0.616 . . . . 0.61 110.441 177.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -58.15 -43.41 87.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.329 -0.851 . . . . 2.49 109.847 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.558 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -61.27 -36.33 79.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.11 -0.95 . . . . 0.34 111.501 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1835 ' ' ILE . . . . . 0.497 ' HA ' ' OE1' ' A' 1921 ' ' GLN . 34.7 mt -62.6 -40.43 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 0.49 110.54 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -77.24 -40.27 45.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.057 -0.52 . . . . 0.72 111.108 -175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1837 ' ' GLN . . . . . 0.558 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.3 pt20 -64.09 -31.82 73.15 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.642 0.238 . . . . 1.0 111.642 -175.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.62 -43.28 69.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.805 0.336 . . . . 0.79 110.729 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 35.6 t70 -73.37 -26.08 60.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 1.79 109.967 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.59 -43.69 84.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.36 -0.836 . . . . 3.25 110.875 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 160.79 170.86 25.96 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.499 -0.858 . . . . 1.73 112.489 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -93.33 -168.52 0.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.326 2.684 . . . . 2.43 112.271 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1843 ' ' MET . . . . . 0.544 ' HG2' ' HB3' ' A' 1901 ' ' LYS . 20.7 mmt -105.78 107.22 18.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.697 -0.482 . . . . 5.03 109.697 174.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -68.89 149.27 49.15 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.859 -0.686 . . . . 1.86 112.409 -176.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 20.3 m-20 57.41 69.97 1.47 Allowed Pre-proline 0 C--N 1.327 -0.38 0 C-N-CA 122.993 0.517 . . . . 3.08 110.73 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.6 135.57 65.21 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.611 2.207 . . . . 1.21 111.684 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -93.72 12.27 26.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 2.82 110.97 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -148.01 167.0 28.9 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.882 -0.887 . . . . 1.14 110.882 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 19.6 m -81.67 167.14 19.49 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.878 -0.416 . . . . 1.64 109.878 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' A' 1906 ' ' ALA . 45.5 t80 -59.91 -36.64 77.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.202 -0.296 . . . . 0.68 110.202 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 4.9 p -57.77 -38.75 67.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.12 -0.491 . . . . 0.79 111.579 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1852 ' ' ASP . . . . . 0.412 ' O ' HG22 ' A' 1855 ' ' THR . 13.9 t70 -64.35 -55.67 19.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.896 0.379 . . . . 1.71 110.514 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -63.83 -36.75 84.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 1.07 110.579 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.654 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.7 tt0 -58.63 -55.74 31.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.5 . . . . 0.99 110.944 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.412 HG22 ' O ' ' A' 1852 ' ' ASP . 1.5 t -64.68 -26.09 68.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.485 . . . . 1.46 110.618 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 16.5 m -75.54 -46.08 34.23 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.359 -0.382 . . . . 0.42 110.029 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.4 mtp -66.21 -45.84 79.33 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.71 111.982 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.719 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.8 m -60.08 -37.29 72.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.71 -0.396 . . . . 0.29 111.227 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -71.89 -42.07 67.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.798 0.332 . . . . 3.02 110.755 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.485 ' HB ' HD21 ' A' 1896 ' ' LEU . 16.6 m -65.87 -35.06 79.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.35 110.591 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.538 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.02 -43.18 96.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.25 110.585 176.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' 1858 ' ' VAL . 63.4 mttm -61.77 -32.35 72.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.984 0.421 . . . . 1.31 110.636 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.47 82.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.41 111.169 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.749 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.84 -26.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.374 -0.53 . . . . 0.28 109.946 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.889 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -72.08 -41.33 67.47 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.263 -0.426 . . . . 0.2 111.499 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.4 p -66.78 -27.77 40.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.165 0.507 . . . . 0.73 109.832 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 85.2 m -71.52 -45.84 61.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.61 . . . . 0.25 110.986 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.836 HG21 ' HB ' ' A' 1957 ' ' VAL . 3.9 p -71.65 -33.67 49.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 O-C-N 122.292 -0.255 . . . . 0.28 111.379 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -69.46 -26.39 64.56 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.185 -0.672 . . . . 0.91 109.185 175.574 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' 1869 ' ' GLN . 7.1 tp10 -75.47 -35.67 60.81 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.634 -0.712 . . . . 0.57 109.907 176.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.57 ' SD ' HD22 ' A' 1882 ' ' LEU . 4.9 mmt -51.49 -56.4 13.53 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.11 -0.495 . . . . 1.25 111.838 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.537 HG23 HG23 ' A' 1951 ' ' ILE . 8.6 p -59.04 -36.95 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 0.59 110.894 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 99.1 m -75.18 -42.39 55.94 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.099 -0.955 . . . . 0.44 111.238 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.825 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -74.6 -34.52 62.86 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.531 -0.304 . . . . 1.4 111.653 -178.641 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 24.6 t -60.83 -27.39 68.03 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.184 0.516 . . . . 1.11 110.408 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -81.86 -26.65 34.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.781 -0.645 . . . . 0.76 111.787 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 7.4 p -109.52 -45.98 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.097 0.777 . . . . 1.32 113.097 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.2 t -149.36 98.47 3.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.53 -0.544 . . . . 1.17 109.53 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.97 -19.32 63.83 Favored 'Trans proline' 0 C--N 1.339 0.073 0 C-N-CA 122.805 2.337 . . . . 0.67 112.823 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.58 -15.54 59.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.781 0.324 . . . . 2.24 111.294 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.698 ' O ' ' HG ' ' A' 1885 ' ' LEU . 37.5 mm-40 -76.23 -19.74 58.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.799 0.333 . . . . 1.89 110.447 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.57 HD22 ' SD ' ' A' 1871 ' ' MET . 88.4 mt -67.18 -32.97 74.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.923 -0.58 . . . . 0.34 111.699 -174.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -61.82 -55.57 27.66 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.714 -0.755 . . . . 0.38 112.692 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -54.4 -38.47 89.33 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.664 2.243 . . . . 0.58 112.498 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.7 mt -69.68 -43.07 73.27 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.718 0.294 . . . . 0.37 110.498 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1886 ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.29 -31.95 69.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.173 0.511 . . . . 0.36 109.914 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.03 -46.06 58.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.589 -0.732 . . . . 1.43 110.446 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -67.32 -42.22 84.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 1.07 110.621 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 42.3 tp -58.5 -35.89 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.154 0.502 . . . . 0.25 109.823 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 47.9 m -68.22 -51.8 41.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.576 -0.738 . . . . 0.28 111.233 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 65.1 p -63.95 -47.89 78.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.293 0.568 . . . . 1.17 111.257 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.415 ' CB ' HG22 ' A' 1864 ' ' ILE . 1.4 m-20 -66.15 -32.66 74.24 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.347 -0.842 . . . . 0.8 111.583 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1893 ' ' TYR . . . . . 0.521 ' CE2' HG23 ' A' 1831 ' ' ILE . 66.4 t80 -65.8 -43.22 89.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.733 0.301 . . . . 0.31 110.42 176.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.61 -29.15 63.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.013 -0.613 . . . . 0.31 112.087 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -70.14 -46.67 64.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.149 -0.315 . . . . 3.04 110.149 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.485 HD21 ' HB ' ' A' 1860 ' ' THR . 17.2 mt -60.48 -39.75 88.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.327 -0.397 . . . . 0.86 110.974 176.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.43 72.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.027 -0.533 . . . . 0.49 111.339 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 36.8 t -74.37 -36.83 63.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.14 -0.482 . . . . 1.38 110.431 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -75.77 -30.68 59.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.948 -0.569 . . . . 1.56 111.526 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1900 ' ' ALA . . . . . 0.405 ' HB2' HG21 ' A' 1920 ' ' VAL . . . -65.0 -35.88 82.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.355 0.502 . . . . 0.34 112.355 -175.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.544 ' HB3' ' HG2' ' A' 1843 ' ' MET . 47.7 mttm -56.37 -58.74 14.96 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.166 0.432 . . . . 2.27 112.166 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1902 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.63 -29.18 13.34 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 121.737 1.625 . . . . 0.6 112.632 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.81 99.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.39 111.018 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1904 ' ' ALA . . . . . 0.405 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -62.6 -42.54 99.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 0.46 111.723 -178.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.514 HG11 ' O ' ' A' 1843 ' ' MET . 7.9 p -77.04 -27.38 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.352 -0.386 . . . . 1.26 111.618 -177.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1906 ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -93.94 0.5 56.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.652 0.263 . . . . 0.64 111.578 -176.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1907 ' ' ALA . . . . . 0.415 ' HA ' ' CD1' ' A' 1850 ' ' PHE . . . -67.34 155.55 38.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.457 . . . . 0.85 111.568 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -61.21 -51.54 68.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.662 -0.699 . . . . 2.67 111.747 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.777 ' HB2' HD13 ' A' 1912 ' ' ILE . 65.7 m-20 -116.37 159.99 21.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.49 -0.323 . . . . 2.18 110.354 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.07 -33.93 76.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 2.24 110.908 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.34 -44.72 78.36 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.855 0.36 . . . . 2.49 110.239 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.777 HD13 ' HB2' ' A' 1909 ' ' ASN . 2.0 mp -58.53 -49.48 82.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 0.89 110.187 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -62.16 -42.06 99.72 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.722 -0.752 . . . . 0.51 112.415 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.25 87.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.034 0.445 . . . . 0.46 110.753 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' A' 1919 ' ' ARG . 16.2 m-70 -68.38 -37.32 80.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 1.62 110.93 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' 1912 ' ' ILE . 70.3 mt -56.56 -54.96 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.592 0.234 . . . . 0.4 111.197 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.524 ' O ' ' HG2' ' A' 1921 ' ' GLN . 19.7 ptpt -63.15 -34.6 77.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 1.36 110.85 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -71.36 -37.7 71.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.052 0.39 . . . . 1.91 112.052 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.699 ' HA ' ' HG3' ' A' 1922 ' ' GLU . 37.9 mmt180 -70.15 -29.3 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.771 0.32 . . . . 2.55 111.508 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.405 HG21 ' HB2' ' A' 1900 ' ' ALA . 39.9 t -71.69 -27.86 29.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.097 0.475 . . . . 0.35 110.085 178.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' 1917 ' ' LYS . 5.4 mm-40 -68.68 -25.66 64.91 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.717 -0.475 . . . . 1.22 109.717 177.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.736 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 9.0 mt-10 -67.16 -45.2 77.72 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.0 -0.546 . . . . 1.49 109.714 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.666 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.2 mt -66.67 -30.43 70.68 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.805 -0.813 . . . . 0.67 108.805 173.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1924 ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -56.36 -31.38 59.63 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.792 -0.718 . . . . 0.64 112.128 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -94.58 -42.96 8.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.673 0.273 . . . . 0.69 110.817 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.65 -55.11 12.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.843 -0.694 . . . . 0.25 112.626 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 87.7 m -61.36 -37.75 84.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.281 0.232 . . . . 1.22 110.861 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1928 ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' 1924 ' ' GLY . 9.2 t -62.69 -46.34 88.62 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.989 0.424 . . . . 1.03 110.023 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.86 93.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.28 110.646 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.6 HD12 HG21 ' A' 1957 ' ' VAL . 0.4 OUTLIER -61.65 -53.07 61.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.28 110.785 -178.475 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' 1886 ' ' ALA . 28.9 m -63.04 -38.13 81.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.773 0.32 . . . . 0.26 110.793 -178.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 98.3 m -62.44 -45.97 90.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.224 0.535 . . . . 0.8 110.385 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.532 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.8 tptt -67.25 -38.22 84.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.481 -0.781 . . . . 1.27 110.852 -176.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1934 ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -60.51 -42.39 96.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.603 -0.271 . . . . 0.3 111.449 177.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.33 98.01 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.479 -0.867 . . . . 0.4 111.587 176.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.24 -23.77 59.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.861 0.362 . . . . 0.5 111.032 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.553 HD12 HD12 ' A' 1882 ' ' LEU . 2.7 tm? -77.43 -34.98 54.45 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.509 -0.552 . . . . 0.41 109.509 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -69.95 -25.97 63.9 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.302 -0.559 . . . . 1.06 110.043 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 35.3 t -77.38 -17.89 57.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.342 -0.844 . . . . 1.43 110.423 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 22.9 m -150.95 67.57 7.81 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.8 110.14 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -67.42 -15.71 46.04 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.704 2.269 . . . . 0.69 113.089 -173.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 23.1 t -104.69 5.89 33.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.281 -0.418 . . . . 1.54 110.711 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -89.65 112.87 24.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.734 0.302 . . . . 1.16 110.527 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 13.6 m -64.31 -37.69 80.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.049 -0.523 . . . . 1.33 112.062 -176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.48 ' O ' ' HG3' ' A' 1949 ' ' GLU . 36.2 t80 -60.29 -52.2 66.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.717 0.294 . . . . 1.91 110.464 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 32.4 m -63.35 -44.1 95.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.6 111.289 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.51 -47.27 82.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 1.2 111.005 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.56 -41.2 89.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 2.67 110.782 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.532 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 49.5 mt-10 -66.08 -36.04 82.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 1.53 111.007 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.3 -39.67 85.96 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.927 -0.398 . . . . 0.31 109.927 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.581 ' O ' ' HG3' ' A' 1955 ' ' ARG . 81.2 mt -57.62 -44.33 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 0.35 109.845 175.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -62.18 -42.96 99.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.826 -0.625 . . . . 2.11 111.057 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.54 ' O ' HG23 ' A' 1957 ' ' VAL . 71.8 m -59.31 -44.51 92.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.88 110.414 177.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.86 89.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.25 110.889 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' 1951 ' ' ILE . 82.2 mtp180 -60.65 -46.47 90.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.512 . . . . 3.21 110.456 177.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.556 ' O ' ' HG2' ' A' 1960 ' ' LYS . 46.7 mtm180 -64.65 -43.7 92.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.734 -0.666 . . . . 3.16 111.269 -178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.836 ' HB ' HG21 ' A' 1868 ' ' VAL . 61.4 t -62.79 -44.73 99.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.595 0.236 . . . . 0.3 110.569 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 41.9 m -55.91 -37.56 69.07 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.282 -0.417 . . . . 1.13 110.804 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.2 mt-10 -60.85 -51.36 69.65 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.148 0.499 . . . . 1.86 110.335 176.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.736 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.2 mmtt -59.42 -37.66 78.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.268 -0.878 . . . . 0.65 111.382 -173.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.889 HG11 ' HB2' ' A' 1865 ' ' ALA . 23.8 t -55.51 -44.99 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.053 0.454 . . . . 0.27 110.473 178.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 22.7 t -62.94 -37.94 89.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.756 -0.656 . . . . 1.3 110.125 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.567 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 76.8 m80 -67.38 -40.39 85.69 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.247 -0.433 . . . . 1.11 110.425 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' 1919 ' ' ARG . 62.3 t -62.31 -50.62 79.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.089 0.471 . . . . 0.35 110.102 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.21 -36.1 74.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.738 -0.665 . . . . 0.35 110.907 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.01 85.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.415 -0.357 . . . . 0.4 111.033 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.78 99.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.368 -0.378 . . . . 0.46 111.252 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.654 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.0 mm? -68.84 -51.69 37.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.5 111.098 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -14.93 63.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.168 -0.469 . . . . 1.7 111.706 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -70.72 -14.2 62.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.963 0.411 . . . . 0.93 110.898 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -106.05 35.28 5.16 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.063 -0.589 . . . . 2.0 112.382 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 50.2 m-20 -77.09 100.62 5.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.765 0.317 . . . . 5.01 110.726 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 38.3 mtp-105 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.728 -0.653 . . . . 7.5 109.546 176.753 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 112.075 -0.41 . . . . 21.55 112.075 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1810 ' ' ILE . . . . . 0.501 HD11 ' HB2' ' A' 1817 ' ' ALA . 13.3 tt -100.96 1.58 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.199 0.523 . . . . 20.33 110.717 -176.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -118.66 92.55 44.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.278 -0.419 . . . . 19.2 111.426 -175.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -94.34 -83.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.343 2.695 . . . . 18.2 111.156 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -133.74 -57.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.803 -0.814 . . . . 20.33 108.803 171.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 26.5 m -98.63 124.75 43.61 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.958 -0.756 . . . . 16.69 108.958 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -82.86 97.44 8.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.107 0.48 . . . . 16.15 110.7 -176.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -111.14 100.21 8.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.793 -0.64 . . . . 14.41 109.626 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1817 ' ' ALA . . . . . 0.501 ' HB2' HD11 ' A' 1810 ' ' ILE . . . -97.38 18.34 15.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.931 -0.577 . . . . 12.08 111.171 -176.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -54.88 -41.92 71.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 10.45 111.156 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 70.6 m -155.57 142.18 18.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.143 -0.48 . . . . 8.54 109.831 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -77.18 64.6 2.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.313 0.578 . . . . 6.8 110.824 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -149.71 -28.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.575 -0.739 . . . . 4.72 110.306 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 90.61 -37.16 3.41 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.919 -0.658 . . . . 3.52 112.247 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1823 ' ' VAL . . . . . 0.979 HG21 ' HA2' ' A' 1935 ' ' GLY . 4.1 p -145.54 -178.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 110.156 -0.312 . . . . 2.13 110.156 -177.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.966 HG11 ' HB ' ' A' 1931 ' ' VAL . 74.2 t -73.04 107.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.498 0.666 . . . . 1.83 111.987 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -130.43 -31.36 0.57 Allowed Glycine 0 C--N 1.315 -0.617 0 CA-C-N 114.802 -1.09 . . . . 2.1 111.492 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -81.05 -35.57 23.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.91 112.391 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.648 ' HB2' HG13 ' A' 1824 ' ' VAL . 1.5 mpt? -56.78 -44.43 81.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.685 0.279 . . . . 1.1 111.387 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 11.9 p -61.93 -31.41 51.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.091 0.472 . . . . 0.74 111.246 -174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.42 -44.46 78.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.25 0.548 . . . . 0.87 110.322 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 14.8 m -64.59 -38.55 91.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.513 -0.767 . . . . 0.97 111.055 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' 1827 ' ' MET . 80.6 mt -60.41 -44.53 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.141 0.496 . . . . 0.32 110.601 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 34.3 m -64.7 -32.98 74.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.84 -0.618 . . . . 0.61 111.166 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.56 -39.12 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.777 -0.453 . . . . 2.49 109.777 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -62.19 -32.72 73.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.845 -0.616 . . . . 0.34 111.2 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1835 ' ' ILE . . . . . 0.481 HD11 ' O ' ' A' 1924 ' ' GLY . 43.5 mt -64.79 -51.32 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.49 110.347 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -65.94 -30.27 70.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.664 -0.698 . . . . 0.72 112.27 -173.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1837 ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' 1834 ' ' ALA . 11.4 pt20 -72.07 -34.69 68.89 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.075 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1838 ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' 1917 ' ' LYS . 74.4 mt -80.12 -35.51 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.79 111.159 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.94 -29.94 71.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.876 -0.602 . . . . 1.79 110.361 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -55.6 -58.9 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.438 -0.801 . . . . 3.25 110.816 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1841 ' ' GLY . . . . . 0.471 ' O ' ' HE3' ' A' 1901 ' ' LYS . . . 164.05 -174.08 40.13 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.462 -0.655 . . . . 1.73 111.462 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1842 ' ' PRO . . . . . 0.49 ' HB3' ' HB3' ' A' 1904 ' ' ALA . 71.0 Cg_endo -94.22 -91.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.868 2.378 . . . . 2.43 112.363 175.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 65.2 mtt 54.67 -170.6 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.212 0.529 . . . . 5.03 111.973 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 102.21 180.0 27.27 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.506 -0.854 . . . . 1.86 112.857 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1845 ' ' ASP . . . . . 0.414 ' HA ' ' HD2' ' A' 1846 ' ' PRO . 31.2 t70 -121.58 84.74 42.85 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.111 -0.7 . . . . 3.08 109.111 170.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' 1845 ' ' ASP . 1.6 Cg_endo -46.65 131.79 16.14 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.674 2.916 . . . . 1.21 112.755 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -79.01 -9.88 59.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.564 -0.743 . . . . 2.82 110.231 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -135.79 -168.88 11.66 Favored Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.141 -0.784 . . . . 1.14 111.141 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 4.5 p -98.07 176.28 5.81 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.876 -0.416 . . . . 1.64 109.876 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.479 ' HE1' HD11 ' A' 1916 ' ' ILE . 87.1 t80 -56.57 -48.39 77.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.236 -0.283 . . . . 0.68 110.236 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.9 p -62.34 -36.35 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.79 111.137 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.9 -48.36 76.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.075 0.464 . . . . 1.71 110.365 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.417 ' HD1' ' HB3' ' A' 1899 ' ' GLN . 50.4 m-85 -67.78 -42.42 81.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.039 -0.528 . . . . 1.07 110.708 176.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.654 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 56.8 tt0 -56.32 -55.46 33.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.829 -0.623 . . . . 0.99 111.414 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' 1859 ' ' ARG . 10.9 t -60.47 -28.18 68.13 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.35 -0.386 . . . . 1.46 110.633 -177.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 33.9 m -78.0 -51.69 9.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.203 -0.453 . . . . 0.42 110.825 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 81.9 mtp -60.66 -41.38 94.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.518 . . . . 0.71 112.092 -176.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.716 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -62.81 -31.73 53.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.461 -0.495 . . . . 0.29 111.072 -178.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' 1855 ' ' THR . 34.4 mtt180 -70.89 -44.02 67.17 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.02 0.438 . . . . 3.02 110.15 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.431 ' HB ' HD21 ' A' 1896 ' ' LEU . 32.0 m -66.18 -34.74 78.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.648 -0.706 . . . . 0.35 110.756 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.516 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.36 -43.58 98.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.425 -0.352 . . . . 0.25 110.447 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.716 ' HG3' ' O ' ' A' 1858 ' ' VAL . 83.4 mttt -61.83 -35.03 77.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.252 0.549 . . . . 1.31 110.056 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.58 -42.67 77.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.658 -0.701 . . . . 0.41 111.459 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.727 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -72.32 -26.16 24.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.292 -0.563 . . . . 0.28 109.652 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.827 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.98 -40.48 78.77 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.892 -0.595 . . . . 0.2 111.267 178.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.488 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.6 p -73.79 -27.37 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.161 -0.616 . . . . 0.73 109.836 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.519 HG21 ' HB2' ' A' 1889 ' ' LEU . 61.7 m -64.85 -50.55 66.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.05 -0.523 . . . . 0.25 110.55 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.736 HG23 HD11 ' A' 1930 ' ' LEU . 2.8 p -66.3 -37.59 80.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.698 -0.228 . . . . 0.28 111.287 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.488 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.6 OUTLIER -66.76 -26.89 67.19 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.757 -0.46 . . . . 0.91 109.757 178.42 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.445 ' HG3' ' HG3' ' A' 1874 ' ' LYS . 5.1 tp10 -77.4 -43.57 32.2 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 109.689 -0.486 . . . . 0.57 109.689 176.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.444 ' SD ' ' HB2' ' A' 1885 ' ' LEU . 34.7 mmm -58.03 -47.76 82.12 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.292 -0.413 . . . . 1.25 111.606 -177.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.538 HG23 ' HA ' ' A' 1951 ' ' ILE . 12.3 p -60.32 -33.44 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.409 0.623 . . . . 0.59 110.571 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 92.9 m -80.57 -47.95 13.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.253 -0.885 . . . . 0.44 111.281 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.445 ' HG3' ' HG3' ' A' 1870 ' ' GLU . 7.9 mmpt? -63.08 -28.61 70.19 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.181 -0.463 . . . . 1.4 111.643 -176.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 48.8 m -56.9 -24.12 49.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.075 0.464 . . . . 1.11 111.246 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -81.26 -38.89 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.999 -0.546 . . . . 0.76 111.796 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 68.5 p -108.71 -33.01 7.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.569 0.581 . . . . 1.32 112.569 -172.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.3 m -145.22 83.25 9.3 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.238 -0.437 . . . . 1.17 110.972 -165.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.3 -31.36 53.07 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.343 2.028 . . . . 0.67 112.478 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.99 -28.26 66.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.443 -0.344 . . . . 2.24 111.573 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.44 -11.0 60.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.739 0.304 . . . . 1.89 111.095 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1882 ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.03 -26.04 65.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.228 -0.442 . . . . 0.34 110.72 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.39 -55.69 17.07 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.412 -0.899 . . . . 0.38 112.697 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.74 -39.85 78.32 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.672 2.248 . . . . 0.58 112.742 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.444 ' HB2' ' SD ' ' A' 1871 ' ' MET . 74.3 mt -69.73 -43.84 71.51 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.564 -0.289 . . . . 0.37 110.826 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1886 ' ' ALA . . . . . 0.634 ' CB ' HG21 ' A' 1824 ' ' VAL . . . -56.53 -34.84 67.42 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.091 0.472 . . . . 0.36 110.296 174.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -69.08 -44.75 71.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.653 -0.703 . . . . 1.43 110.587 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.45 -41.88 83.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.158 -0.474 . . . . 1.07 110.484 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.519 ' HB2' HG21 ' A' 1867 ' ' THR . 54.2 tp -57.04 -39.84 75.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.218 0.532 . . . . 0.25 109.693 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1890 ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' 1827 ' ' MET . 54.7 m -71.12 -44.0 66.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.305 -0.861 . . . . 0.28 111.811 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 50.5 p -72.32 -51.37 21.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.791 0.329 . . . . 1.17 111.036 -175.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.63 -39.34 76.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.102 -0.499 . . . . 0.8 110.811 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1893 ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 51.1 t80 -64.12 -44.19 92.96 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.656 0.265 . . . . 0.31 110.867 176.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.67 -37.51 83.68 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.888 -0.673 . . . . 0.31 111.619 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -65.74 -45.84 81.09 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.114 -0.328 . . . . 3.04 110.114 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.431 HD21 ' HB ' ' A' 1860 ' ' THR . 42.8 mt -52.92 -51.75 60.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.86 110.475 174.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1897 ' ' ALA . . . . . 0.473 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -63.21 -30.94 71.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.631 . . . . 0.49 111.802 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1898 ' ' SER . . . . . 0.434 ' O ' ' HD2' ' A' 1902 ' ' PRO . 49.9 m -71.18 -60.16 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.769 -0.196 . . . . 1.38 110.744 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.417 ' HB3' ' HD1' ' A' 1853 ' ' TYR . 1.1 mp0 -63.21 -24.5 67.91 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.405 0.52 . . . . 1.56 112.405 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.9 -31.0 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.088 0.403 . . . . 0.34 112.088 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.471 ' HE3' ' O ' ' A' 1841 ' ' GLY . 77.9 tttt -70.06 -55.26 8.58 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.536 -0.302 . . . . 2.27 111.327 -174.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' 1898 ' ' SER . 25.7 Cg_endo -64.75 -29.25 59.62 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 121.916 1.744 . . . . 0.6 112.166 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.67 87.02 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.977 0.418 . . . . 0.39 110.367 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1904 ' ' ALA . . . . . 0.505 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -62.67 -43.81 97.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.529 -0.76 . . . . 0.46 111.479 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' 1842 ' ' PRO . 9.2 p -76.77 -27.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 1.26 111.263 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -67.91 -29.33 68.39 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.021 0.439 . . . . 0.64 110.705 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.97 148.04 51.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.759 -0.655 . . . . 0.85 110.038 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.45 -24.98 29.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 2.67 110.532 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.693 ' HB2' HG12 ' A' 1912 ' ' ILE . 90.4 m-20 -97.66 123.05 41.42 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.768 -0.456 . . . . 2.18 109.768 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.84 -35.63 75.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.169 0.509 . . . . 2.24 109.888 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1911 ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' 1915 ' ' HIS . 2.0 mp0 -62.52 -34.81 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.747 -0.66 . . . . 2.49 110.855 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.693 HG12 ' HB2' ' A' 1909 ' ' ASN . 46.5 mm -66.45 -47.0 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.52 -0.548 . . . . 0.89 109.52 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -60.15 -44.34 97.46 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.652 -0.704 . . . . 0.51 111.965 176.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.9 94.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.255 0.55 . . . . 0.46 110.116 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' 1911 ' ' GLU . 2.9 t-160 -62.25 -40.16 95.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.886 -1.052 . . . . 1.62 110.544 -177.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' 1920 ' ' VAL . 93.2 mt -62.0 -55.33 24.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.364 -0.38 . . . . 0.4 110.796 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.593 ' O ' ' HG2' ' A' 1921 ' ' GLN . 46.5 mtmt -61.62 -46.11 91.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.583 . . . . 1.36 111.049 -176.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -65.64 -29.25 69.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.765 -0.652 . . . . 1.91 112.038 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.457 ' HA ' ' HD3' ' A' 1919 ' ' ARG . 25.2 mmt180 -78.62 -26.48 45.28 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.695 -0.402 . . . . 2.55 110.889 177.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' 1916 ' ' ILE . 59.6 t -72.55 -30.53 34.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.248 -0.649 . . . . 0.35 109.248 173.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' 1917 ' ' LYS . 10.3 mm100 -62.34 -31.27 71.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.677 -0.692 . . . . 1.22 110.055 174.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' 1919 ' ' ARG . 17.0 mm-40 -56.73 -51.42 68.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.892 -0.595 . . . . 1.49 110.335 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.664 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 14.2 mt -69.9 -25.98 63.95 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 109.389 -0.597 . . . . 0.67 109.389 177.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1924 ' ' GLY . . . . . 0.481 ' O ' HD11 ' A' 1835 ' ' ILE . . . -56.11 -31.66 59.16 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.954 -0.641 . . . . 0.64 112.361 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -99.09 -39.25 8.6 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.938 -0.305 . . . . 0.69 110.527 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.26 -52.73 25.51 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.859 -0.686 . . . . 0.25 112.502 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 92.5 m -64.49 -34.62 78.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.788 0.328 . . . . 1.22 110.387 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1928 ' ' SER . . . . . 0.474 ' HB2' ' O ' ' A' 1924 ' ' GLY . 16.4 t -60.51 -49.97 75.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.45 0.643 . . . . 1.03 109.84 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.73 92.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.334 -0.848 . . . . 0.28 110.826 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.736 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.1 -52.25 65.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.759 -0.655 . . . . 0.28 111.004 -179.113 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.966 ' HB ' HG11 ' A' 1824 ' ' VAL . 25.5 m -69.43 -32.85 54.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.425 -0.352 . . . . 0.26 111.711 -174.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 12.0 t -79.03 -28.32 43.28 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.726 -0.39 . . . . 0.8 110.806 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.492 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 39.2 tptt -75.06 -32.11 61.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.906 -0.405 . . . . 1.27 109.906 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.97 69.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.874 -0.603 . . . . 0.3 110.689 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1935 ' ' GLY . . . . . 0.979 ' HA2' HG21 ' A' 1823 ' ' VAL . . . -57.21 -40.86 92.38 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.4 112.292 175.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -80.43 -29.81 37.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.723 0.297 . . . . 0.5 110.811 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' 1937 ' ' LEU . 2.2 tm? -70.06 -32.77 71.02 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.741 -0.466 . . . . 0.41 109.741 -177.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -77.69 -25.3 49.38 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.975 0.417 . . . . 1.06 111.166 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 21.0 t -76.52 -28.88 56.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.246 0.546 . . . . 1.43 109.627 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 25.2 m -145.9 77.24 12.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.842 -0.617 . . . . 0.8 109.882 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -65.02 -18.04 60.95 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.956 2.437 . . . . 0.69 112.678 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 44.8 t -92.85 -4.76 52.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.731 -0.668 . . . . 1.54 110.573 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -81.12 109.03 15.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.222 0.535 . . . . 1.16 110.286 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 60.7 t -66.52 -33.83 66.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.723 -0.671 . . . . 1.33 111.409 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.466 ' O ' ' HG2' ' A' 1949 ' ' GLU . 75.5 t80 -61.17 -53.04 61.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.523 -0.308 . . . . 1.91 110.715 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 40.8 m -58.19 -44.49 88.08 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.444 -0.343 . . . . 0.6 110.868 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.556 ' O ' HG13 ' A' 1951 ' ' ILE . 28.3 ttpp -61.88 -45.05 95.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 1.2 110.15 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' 1952 ' ' GLU . 32.7 ttpt -60.37 -47.57 85.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 2.67 110.603 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.492 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 56.3 mm-40 -57.58 -42.1 82.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 1.53 110.449 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.455 ' HG ' HD23 ' A' 1930 ' ' LEU . 7.8 tt -66.31 -41.58 89.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.31 110.431 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' 1947 ' ' LYS . 96.7 mt -56.93 -44.59 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.35 110.1 176.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' 1948 ' ' LYS . 7.0 mm-40 -62.34 -41.02 98.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 2.11 110.574 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.571 ' HA ' ' HE ' ' A' 1956 ' ' ARG . 73.0 m -62.17 -46.08 90.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.88 110.497 176.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.43 94.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.25 111.336 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' 1951 ' ' ILE . 82.5 mtp180 -56.87 -47.24 80.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 3.21 110.483 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' 1960 ' ' LYS . 61.7 mtm180 -60.55 -45.94 92.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.729 -0.669 . . . . 3.16 110.726 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.666 ' HB ' HG21 ' A' 1868 ' ' VAL . 63.5 t -59.05 -50.57 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.3 110.873 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 32.6 t -57.77 -35.7 71.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 1.13 110.833 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.37 -39.82 67.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 1.86 111.099 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' 1956 ' ' ARG . 28.8 mmtp -68.35 -28.14 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.428 -0.351 . . . . 0.65 111.173 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.827 HG11 ' HB2' ' A' 1865 ' ' ALA . 58.1 t -54.72 -50.03 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.953 0.406 . . . . 0.27 110.643 175.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 46.6 m -60.01 -33.04 71.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.827 -0.624 . . . . 1.3 110.909 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.411 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 65.6 m80 -71.32 -35.69 71.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 1.11 110.695 178.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' 1960 ' ' LYS . 59.7 t -66.83 -46.96 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.097 0.475 . . . . 0.35 110.095 176.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 65.9 mt -57.99 -48.19 80.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.706 -0.679 . . . . 0.35 110.284 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.19 69.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.4 111.155 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.59 -43.64 93.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.371 -0.377 . . . . 0.46 110.895 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.654 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -69.24 -49.64 54.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.5 110.651 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.04 -26.34 64.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 1.7 111.534 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1970 ' ' ALA . . . . . 0.453 ' HA ' ' HG2' ' A' 1973 ' ' ARG . . . -67.74 -21.66 65.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.93 111.53 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -68.3 -31.67 74.73 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.783 -0.722 . . . . 2.0 112.679 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 18.9 m120 -105.11 29.04 6.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.781 0.324 . . . . 5.01 111.117 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1973 ' ' ARG . . . . . 0.453 ' HG2' ' HA ' ' A' 1970 ' ' ALA . 24.1 mmm180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.581 -0.723 . . . . 7.5 109.596 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.672 -0.571 . . . . 21.55 111.672 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 34.5 pt -100.47 16.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.381 -0.6 . . . . 20.33 109.381 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -55.53 128.63 68.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 114.859 -1.064 . . . . 19.2 110.84 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1812 ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' A' 1816 ' ' GLU . 97.5 Cg_endo -82.3 114.5 2.48 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.897 2.398 . . . . 18.2 113.026 -174.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 50.2 p90 -119.7 1.6 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 20.33 110.968 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 2.8 m -70.5 -57.8 4.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.503 0.668 . . . . 16.69 109.415 177.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -87.34 -29.97 21.17 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.813 -1.085 . . . . 16.15 108.334 171.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' 1812 ' ' PRO . 36.8 tt0 69.66 102.75 0.06 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 114.25 -1.341 . . . . 14.41 111.878 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -100.06 125.93 46.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.361 -0.836 . . . . 12.08 109.744 175.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -67.55 136.85 55.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.502 . . . . 10.45 111.606 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 9.2 t -79.96 92.2 5.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.747 -0.66 . . . . 8.54 109.298 175.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -85.38 -37.57 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.456 . . . . 6.8 110.772 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -142.29 -65.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.954 -0.566 . . . . 4.72 110.929 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 80.98 -43.73 2.89 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 121.042 -0.599 . . . . 3.52 111.996 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 28.2 m -88.28 -175.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.944 0.402 . . . . 2.13 110.879 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.785 HG12 ' HB ' ' A' 1828 ' ' VAL . 48.4 t -117.97 98.09 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.011 0.434 . . . . 1.83 110.839 -176.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -138.84 -7.94 1.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 2.1 112.213 177.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -111.98 -48.92 0.65 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.679 -0.772 . . . . 0.91 111.875 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.588 ' HB2' HG21 ' A' 1890 ' ' THR . 25.8 ptt? -78.66 -13.29 59.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.743 0.306 . . . . 1.1 111.197 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1828 ' ' VAL . . . . . 0.785 ' HB ' HG12 ' A' 1824 ' ' VAL . 11.7 p -66.31 -28.03 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.264 0.554 . . . . 0.74 109.603 176.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -61.63 -41.38 97.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.538 -0.756 . . . . 0.87 110.23 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 42.4 m -60.36 -37.38 80.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.654 . . . . 0.97 111.17 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 54.9 mt -66.2 -47.17 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.943 0.401 . . . . 0.32 110.443 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 14.8 m -62.23 -43.36 98.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.94 -0.573 . . . . 0.61 110.874 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.37 -27.9 65.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.418 -0.356 . . . . 2.49 111.039 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.539 ' HB3' ' HE2' ' A' 1893 ' ' TYR . . . -67.55 -28.99 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.997 0.427 . . . . 0.34 110.702 176.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 54.5 mt -70.88 -48.8 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.421 -0.585 . . . . 0.49 109.421 171.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1836 ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' A' 1840 ' ' GLU . 30.2 m-80 -59.58 -45.0 93.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.339 -0.846 . . . . 0.72 111.686 -178.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1837 ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.4 pt20 -59.23 -34.53 72.32 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.583 0.23 . . . . 1.0 111.29 -176.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1838 ' ' LEU . . . . . 0.478 HD23 ' HG2' ' A' 1901 ' ' LYS . 35.6 mt -76.4 -35.87 58.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.155 0.502 . . . . 0.79 110.733 178.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -72.98 -41.7 64.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.351 -0.84 . . . . 1.79 110.788 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1840 ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' 1836 ' ' ASN . 43.5 mt-10 -64.23 -46.45 83.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 3.25 111.481 -177.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -175.26 166.05 37.37 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.558 -0.829 . . . . 1.73 112.57 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -88.08 -168.54 0.38 Allowed 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.997 2.465 . . . . 2.43 112.035 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1843 ' ' MET . . . . . 0.558 ' SD ' ' HG3' ' A' 1902 ' ' PRO . 26.9 ttt -122.09 112.26 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.351 -0.611 . . . . 5.03 109.351 177.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -83.03 155.8 33.46 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.854 -0.688 . . . . 1.86 112.774 -174.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 31.1 t70 52.68 73.12 1.0 Allowed Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 123.248 0.619 . . . . 3.08 110.888 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.46 139.92 79.13 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.633 2.222 . . . . 1.21 112.232 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.86 -30.91 61.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.189 0.519 . . . . 2.82 109.757 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -105.3 -176.43 24.28 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.379 -0.688 . . . . 1.14 111.379 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 5.8 p -105.46 167.02 10.02 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 110.193 -0.299 . . . . 1.64 110.193 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.529 ' HE1' HD11 ' A' 1916 ' ' ILE . 73.2 t80 -54.37 -42.16 70.01 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.138 0.273 . . . . 0.68 110.731 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.5 p -63.13 -37.83 80.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.788 0.328 . . . . 0.79 111.116 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.78 -51.16 52.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.433 -0.348 . . . . 1.71 110.253 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -61.28 -43.49 98.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.07 110.798 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.655 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 47.9 tt0 -54.98 -56.95 14.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.99 111.074 178.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 26.2 m -61.37 -33.54 73.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.825 -0.625 . . . . 1.46 111.07 -177.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 29.7 m -71.54 -47.1 57.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.289 -0.414 . . . . 0.42 110.674 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 85.7 mtp -65.85 -42.32 90.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.71 112.132 -175.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.694 ' O ' ' HG3' ' A' 1862 ' ' LYS . 25.6 m -64.2 -31.06 51.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.191 -0.604 . . . . 0.29 110.85 -178.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -70.22 -48.49 56.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.921 0.391 . . . . 3.02 110.529 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 15.5 m -63.46 -33.17 74.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.911 -0.586 . . . . 0.35 110.913 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.497 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.96 -39.73 94.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.25 110.739 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.3 mttt -64.66 -34.99 79.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.021 0.439 . . . . 1.31 110.029 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.26 -44.85 90.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.757 -0.656 . . . . 0.41 111.213 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.696 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -73.59 -28.2 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.41 -0.516 . . . . 0.28 109.86 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.87 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -71.15 -42.56 68.99 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.286 -0.415 . . . . 0.2 111.473 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.454 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.7 p -69.8 -23.65 25.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.297 0.57 . . . . 0.73 110.027 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 91.9 m -74.92 -47.86 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.786 -0.643 . . . . 0.25 110.899 174.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.892 HG21 ' HB ' ' A' 1957 ' ' VAL . 5.3 p -66.95 -36.36 76.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.6 0.238 . . . . 0.28 110.905 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.454 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -68.07 -26.71 65.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.28 0.562 . . . . 0.91 109.577 176.868 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.464 ' HG3' ' HG2' ' A' 1874 ' ' LYS . 7.7 tp10 -77.3 -31.99 55.09 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.11 -0.496 . . . . 0.57 110.085 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.503 ' SD ' HD22 ' A' 1882 ' ' LEU . 7.0 mmt -52.48 -56.13 17.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.126 -0.488 . . . . 1.25 111.86 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.424 HG23 HG23 ' A' 1951 ' ' ILE . 3.4 p -55.95 -42.41 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.343 0.592 . . . . 0.59 111.082 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 52.4 m -73.62 -40.75 63.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.305 -0.861 . . . . 0.44 111.49 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.863 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -73.57 -31.78 63.79 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.626 -0.261 . . . . 1.4 111.682 -178.295 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.64 ' HB3' ' HG3' ' A' 1947 ' ' LYS . 43.1 m -60.01 -30.15 68.96 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.556 0.693 . . . . 1.11 110.138 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -81.86 -32.94 30.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.132 -0.94 . . . . 0.76 112.16 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 4.5 p -109.21 -37.12 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.234 0.828 . . . . 1.32 113.234 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1878 ' ' SER . . . . . 0.41 ' HB2' ' HD3' ' A' 1874 ' ' LYS . 75.2 m -150.08 82.49 6.46 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.412 -0.358 . . . . 1.17 110.479 -171.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.58 -20.35 69.24 Favored 'Trans proline' 0 C--N 1.34 0.095 0 C-N-CA 122.569 2.18 . . . . 0.67 112.445 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -75.76 -13.86 60.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.057 -0.52 . . . . 2.24 110.962 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' 1885 ' ' LEU . 6.3 mm-40 -80.86 -16.96 52.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.89 111.273 178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.524 HD12 HD12 ' A' 1937 ' ' LEU . 94.6 mt -65.74 -35.5 80.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.261 -0.427 . . . . 0.34 111.814 -174.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -63.14 -55.33 26.9 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.6 -0.809 . . . . 0.38 112.479 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.61 -36.1 79.67 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.871 2.38 . . . . 0.58 112.901 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.566 HD11 ' HG3' ' A' 1874 ' ' LYS . 83.8 mt -73.23 -43.64 60.85 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.591 -0.277 . . . . 0.37 110.639 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1886 ' ' ALA . . . . . 0.419 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -57.05 -32.62 66.4 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.682 -0.488 . . . . 0.36 109.682 174.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.88 -48.95 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.514 -0.766 . . . . 1.43 110.748 178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -68.49 -41.72 79.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.482 -0.326 . . . . 1.07 110.85 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.515 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.7 tp -58.95 -31.12 68.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.17 0.51 . . . . 0.25 109.99 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1890 ' ' THR . . . . . 0.588 HG21 ' HB2' ' A' 1827 ' ' MET . 47.7 m -78.6 -49.33 13.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.521 -0.763 . . . . 0.28 111.469 178.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 31.8 p -65.81 -50.65 63.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.384 -0.371 . . . . 1.17 111.785 -173.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.87 -33.74 76.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.171 -0.468 . . . . 0.8 111.372 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1893 ' ' TYR . . . . . 0.539 ' HE2' ' HB3' ' A' 1834 ' ' ALA . 67.2 t80 -61.15 -40.83 95.3 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.935 -0.306 . . . . 0.31 110.486 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.89 -38.12 64.1 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.06 -0.59 . . . . 0.31 112.045 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -63.96 -52.61 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.516 -0.55 . . . . 3.04 109.516 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1896 ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.86 -51.51 56.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.52 -0.764 . . . . 0.86 111.45 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1897 ' ' ALA . . . . . 0.581 ' HA ' HG11 ' A' 1920 ' ' VAL . . . -62.0 -40.55 96.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.827 -0.624 . . . . 0.49 112.046 -176.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 70.8 m -75.19 -32.84 61.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.744 0.276 . . . . 1.38 111.744 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.55 ' O ' ' HD2' ' A' 1902 ' ' PRO . 16.3 mt-30 -77.68 -24.68 49.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.666 0.269 . . . . 1.56 111.667 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1900 ' ' ALA . . . . . 0.456 ' HB3' HD21 ' A' 1838 ' ' LEU . . . -69.7 -28.59 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.34 111.559 -178.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.678 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 58.1 mtpt -61.61 -53.04 65.09 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.21 0.448 . . . . 2.27 112.21 -178.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.678 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 12.9 Cg_exo -70.29 -32.94 15.48 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 121.953 1.768 . . . . 0.6 112.123 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.15 79.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.404 -0.362 . . . . 0.39 111.12 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.83 92.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.025 -0.534 . . . . 0.46 111.049 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 44.3 t -75.5 -32.97 26.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.944 -0.571 . . . . 1.26 111.029 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -65.3 -31.17 72.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.64 111.362 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -65.78 153.9 40.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.85 111.139 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -69.02 -30.97 69.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 2.67 112.145 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.668 ' HB3' ' CG1' ' A' 1912 ' ' ILE . 43.6 t-20 -125.38 138.88 54.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.296 -0.411 . . . . 2.18 110.036 -173.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -51.39 -44.36 62.17 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.684 -0.689 . . . . 2.24 111.497 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.4 -38.88 88.48 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.046 0.451 . . . . 2.49 110.868 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.991 ' HA ' ' HB2' ' A' 1972 ' ' ASN . 15.8 mm -58.28 -40.22 76.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.69 -0.686 . . . . 0.89 109.539 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -77.12 -35.77 37.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.02 -0.61 . . . . 0.51 112.248 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.81 85.87 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.562 0.696 . . . . 0.46 110.352 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.671 ' O ' ' HG2' ' A' 1919 ' ' ARG . 26.0 t-80 -63.06 -38.2 90.25 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.871 -1.059 . . . . 1.62 110.377 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.529 HD11 ' HE1' ' A' 1850 ' ' PHE . 95.9 mt -65.23 -54.24 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.4 110.925 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -65.02 -34.52 78.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 1.36 111.232 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1918 ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' A' 1922 ' ' GLU . 17.9 t-80 -69.97 -28.64 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 1.91 110.775 -176.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.752 ' HB3' HG22 ' A' 1964 ' ' VAL . 12.8 mmm180 -63.43 -40.55 97.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 2.55 111.166 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.581 HG11 ' HA ' ' A' 1897 ' ' ALA . 24.6 t -71.43 -28.21 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.214 -0.448 . . . . 0.35 110.46 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' 1838 ' ' LEU . 21.2 mm-40 -61.06 -40.35 93.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.206 0.527 . . . . 1.22 109.903 175.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.513 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 16.2 mm-40 -61.67 -42.61 99.15 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.307 -0.861 . . . . 1.49 109.943 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' 1923 ' ' LEU . 18.2 mt -64.43 -43.71 93.49 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.25 -0.886 . . . . 0.67 111.148 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.85 -44.46 55.49 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.182 -0.532 . . . . 0.64 112.979 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -65.79 -43.13 89.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.771 0.319 . . . . 0.69 110.64 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -71.45 -53.51 10.07 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.884 -0.674 . . . . 0.25 112.449 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 71.5 m -55.61 -43.41 76.07 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.311 0.244 . . . . 1.22 111.146 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 16.5 t -59.78 -49.81 76.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.739 0.304 . . . . 1.03 110.505 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.1 93.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.28 110.992 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.622 HD12 HG21 ' A' 1957 ' ' VAL . 0.4 OUTLIER -64.7 -53.34 48.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.021 -0.536 . . . . 0.28 110.667 -178.012 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' 1886 ' ' ALA . 29.8 m -63.85 -35.19 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.26 110.632 -178.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 96.5 m -65.14 -38.4 90.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.041 -0.527 . . . . 0.8 110.778 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.522 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.0 tptt -74.21 -37.84 63.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.12 -0.491 . . . . 1.27 110.269 -178.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1934 ' ' ALA . . . . . 0.469 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -58.81 -40.21 83.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.877 -0.601 . . . . 0.3 111.107 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.53 -38.92 94.32 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.725 -0.75 . . . . 0.4 111.918 177.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -76.37 -32.81 58.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.698 0.285 . . . . 0.5 111.021 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.524 HD12 HD12 ' A' 1882 ' ' LEU . 2.9 tm? -68.54 -35.95 78.14 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.591 -0.522 . . . . 0.41 109.591 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -67.52 -26.07 66.15 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.773 -0.371 . . . . 1.06 110.984 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.9 m -76.72 -18.66 58.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.309 -0.405 . . . . 1.43 110.765 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 47.3 m -150.46 69.49 8.78 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.721 -0.474 . . . . 0.8 109.721 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.28 -15.5 49.93 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.725 2.283 . . . . 0.69 112.465 -173.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 35.7 t -90.23 -10.77 43.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.585 -0.734 . . . . 1.54 110.92 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 34.2 t70 -83.89 105.53 14.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.435 0.636 . . . . 1.16 110.744 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 4.9 m -65.87 -30.09 48.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.018 -0.992 . . . . 1.33 112.257 -177.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.34 -49.44 73.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.535 0.207 . . . . 1.91 110.905 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 29.2 m -59.69 -43.14 94.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.951 0.405 . . . . 0.6 110.407 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.64 ' HG3' ' HB3' ' A' 1875 ' ' SER . 38.9 ttpt -63.8 -41.85 97.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.575 . . . . 1.2 110.702 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' 1952 ' ' GLU . 43.8 tttm -50.91 -53.09 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 2.67 110.821 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.522 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 42.8 mt-10 -63.4 -34.92 78.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.73 -0.668 . . . . 1.53 111.129 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.406 ' HG ' HD23 ' A' 1930 ' ' LEU . 10.0 tt -69.34 -40.19 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.179 -0.304 . . . . 0.31 110.179 178.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.424 HG23 HG23 ' A' 1872 ' ' VAL . 96.1 mt -55.95 -43.26 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.318 0.58 . . . . 0.35 109.721 174.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' 1956 ' ' ARG . 40.8 mt-10 -67.74 -40.31 84.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 2.11 110.755 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' 1957 ' ' VAL . 72.9 m -59.28 -41.74 89.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.725 0.297 . . . . 0.88 110.307 175.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.17 86.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.25 110.77 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.603 ' O ' ' HG3' ' A' 1959 ' ' GLU . 96.5 mtt180 -59.98 -51.91 67.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.296 -0.411 . . . . 3.21 110.129 175.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.569 ' O ' ' HG2' ' A' 1960 ' ' LYS . 94.5 mtt180 -59.63 -34.95 73.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.598 -0.728 . . . . 3.16 111.842 -174.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.892 ' HB ' HG21 ' A' 1868 ' ' VAL . 54.1 t -70.72 -50.53 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.269 -0.271 . . . . 0.3 110.269 177.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 17.7 m -57.31 -38.29 73.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 1.13 111.361 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' 1955 ' ' ARG . 51.2 mt-10 -60.67 -31.81 71.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.268 0.556 . . . . 1.86 110.766 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' 1964 ' ' VAL . 30.2 mmtp -81.52 -38.04 26.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.246 -0.434 . . . . 0.65 110.903 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.87 HG11 ' HB2' ' A' 1865 ' ' ALA . 37.3 t -54.69 -50.45 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.305 0.378 . . . . 0.27 111.562 -176.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 15.6 m -59.36 -36.74 76.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.745 0.307 . . . . 1.3 110.944 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 36.6 m80 -70.35 -32.6 70.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.497 -0.32 . . . . 1.11 111.055 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.752 HG22 ' HB3' ' A' 1919 ' ' ARG . 59.7 t -69.87 -45.88 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 0.35 110.039 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' 1861 ' ' ALA . 70.0 mt -58.22 -47.03 84.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.35 111.067 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -58.91 -37.21 76.12 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.4 111.738 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -52.45 -55.62 20.64 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.46 111.033 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.655 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -51.46 -35.99 42.18 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.482 0.919 . . . . 0.5 113.482 -171.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.88 -21.34 57.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.694 0.283 . . . . 1.7 111.753 -176.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1970 ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' 1973 ' ' ARG . . . -134.9 -1.37 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.358 -0.383 . . . . 0.93 110.824 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1971 ' ' GLY . . . . . 0.432 ' HA3' ' CG2' ' A' 1912 ' ' ILE . . . 70.03 -66.77 0.68 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.306 -1.118 . . . . 2.0 110.306 -163.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1972 ' ' ASN . . . . . 0.991 ' HB2' ' HA ' ' A' 1912 ' ' ILE . 44.3 t-20 -106.81 95.8 5.99 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.105 -0.702 . . . . 5.01 109.105 173.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1973 ' ' ARG . . . . . 0.43 ' HB2' ' HB3' ' A' 1970 ' ' ALA . 75.2 ttt180 . . . . . 0 C--N 1.318 -0.769 0 CA-C-O 118.701 -0.666 . . . . 7.5 109.725 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.805 -0.518 . . . . 21.55 111.805 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 45.5 mm 62.24 91.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.37 0.605 . . . . 20.33 110.422 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1811 ' ' ASP . . . . . 0.553 ' HB2' ' HB ' ' A' 1814 ' ' THR . 16.7 m-20 -97.97 149.57 35.86 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.831 -0.622 . . . . 19.2 111.085 -174.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1812 ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' 1811 ' ' ASP . 10.3 Cg_exo -71.96 -16.16 29.21 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.93 2.42 . . . . 18.2 111.32 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 86.6 t80 -160.61 101.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.387 -0.824 . . . . 20.33 109.45 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1814 ' ' THR . . . . . 0.553 ' HB ' ' HB2' ' A' 1811 ' ' ASP . 7.3 t -127.77 108.52 10.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.333 0.587 . . . . 16.69 110.486 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 11.8 t30 68.7 -67.94 0.19 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.134 -0.939 . . . . 16.15 112.158 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -118.46 -54.99 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.908 0.385 . . . . 14.41 111.236 -175.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -138.66 -163.86 1.54 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.303 -0.408 . . . . 12.08 110.846 -176.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -96.58 -49.98 4.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.13 0.491 . . . . 10.45 109.95 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 17.1 m -143.46 177.6 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.604 -0.725 . . . . 8.54 110.014 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -91.79 -42.07 10.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.476 0.655 . . . . 6.8 109.298 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -129.38 105.27 8.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.259 -0.882 . . . . 4.72 109.837 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -74.64 60.29 2.48 Favored Glycine 0 N--CA 1.453 -0.226 0 CA-C-N 116.099 -0.501 . . . . 3.52 112.758 -178.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1823 ' ' VAL . . . . . 0.609 HG11 ' HA3' ' A' 1935 ' ' GLY . 4.1 p -176.71 -47.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 122.993 0.517 . . . . 2.13 109.777 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.824 HG12 ' HB ' ' A' 1828 ' ' VAL . 59.2 t -133.05 86.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.041 -0.527 . . . . 1.83 109.705 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -128.59 -41.61 0.26 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.831 -0.7 . . . . 2.1 111.599 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -78.11 -46.11 9.59 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.778 -0.725 . . . . 0.91 112.516 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.625 ' HE2' HG22 ' A' 1824 ' ' VAL . 24.7 ptt? -79.2 -18.91 52.1 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.651 -0.419 . . . . 1.1 111.541 -175.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1828 ' ' VAL . . . . . 0.824 ' HB ' HG12 ' A' 1824 ' ' VAL . 8.3 p -71.28 -23.89 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.254 0.549 . . . . 0.74 109.797 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.96 -32.62 74.43 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.728 -0.669 . . . . 0.87 109.888 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 68.5 m -64.26 -37.26 86.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.807 -0.633 . . . . 0.97 110.693 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' 1835 ' ' ILE . 54.5 mt -70.39 -46.28 71.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.391 -0.368 . . . . 0.32 110.132 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 25.5 m -58.99 -40.42 84.77 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.185 -0.461 . . . . 0.61 110.47 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 25.7 tm0? -60.83 -47.42 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.83 -0.623 . . . . 2.49 110.003 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1834 ' ' ALA . . . . . . . . . . . . . . . -60.57 -32.71 71.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.69 -0.686 . . . . 0.34 111.663 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1835 ' ' ILE . . . . . 0.751 ' HA ' ' NE2' ' A' 1921 ' ' GLN . 61.7 mt -65.49 -43.53 94.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.958 0.409 . . . . 0.49 110.747 178.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -78.09 -43.58 28.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.33 0.493 . . . . 0.72 112.33 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -54.52 -38.01 66.04 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.114 0.783 . . . . 1.0 113.114 -170.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1838 ' ' LEU . . . . . 0.605 HD12 ' CD ' ' A' 1921 ' ' GLN . 86.5 mt -68.31 -37.82 80.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 0.79 111.802 -172.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.1 -37.34 16.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.405 -0.361 . . . . 1.79 110.758 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.58 -70.37 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.168 -0.469 . . . . 3.25 111.328 -176.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -135.98 82.27 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.507 -0.854 . . . . 1.73 112.839 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.85 123.25 4.6 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.435 2.09 . . . . 2.43 111.657 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 16.1 tpt -56.83 110.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 5.03 110.697 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1844 ' ' GLY . . . . . 0.929 ' HA2' HG21 ' A' 1905 ' ' VAL . . . -91.95 40.51 2.9 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.141 -0.552 . . . . 1.86 113.473 -175.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -129.94 84.05 61.88 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 121.061 0.458 . . . . 3.08 109.893 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.81 141.28 36.96 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.546 2.164 . . . . 1.21 112.456 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -108.04 22.13 16.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.335 0.588 . . . . 2.82 109.903 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -152.8 153.25 24.74 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.59 -0.732 . . . . 1.14 111.715 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 5.6 p -80.87 44.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.07 0.396 . . . . 1.64 112.07 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 85.5 t80 70.29 -57.38 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.586 0.754 . . . . 0.68 111.042 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 9.9 p -58.0 -34.04 47.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.889 0.376 . . . . 0.79 110.909 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.07 -50.48 73.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.974 -0.557 . . . . 1.71 110.763 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -73.47 -32.71 64.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.335 -0.393 . . . . 1.07 110.693 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.611 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 56.9 tt0 -54.09 -53.26 55.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.081 -0.509 . . . . 0.99 111.226 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 11.5 t -68.34 -30.88 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.86 0.362 . . . . 1.46 110.964 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 17.8 m -69.88 -41.79 74.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.061 0.458 . . . . 0.42 110.716 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 73.3 mtp -68.59 -47.13 67.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.71 111.489 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.649 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -59.69 -36.99 68.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.468 -0.493 . . . . 0.29 110.968 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' 1859 ' ' ARG . 48.1 mtm105 -65.35 -45.99 81.95 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.713 0.292 . . . . 3.02 110.767 178.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.663 ' HB ' HD23 ' A' 1896 ' ' LEU . 10.0 m -69.83 -33.63 72.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.35 110.947 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.561 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.92 -45.79 90.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.25 110.415 176.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.649 ' HG3' ' O ' ' A' 1858 ' ' VAL . 58.0 mttm -61.37 -32.99 72.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 1.31 110.46 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.16 -36.47 84.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.41 111.398 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.697 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -79.76 -27.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.469 -0.493 . . . . 0.28 109.928 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.83 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.11 -40.78 74.71 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 116.115 -0.493 . . . . 0.2 111.286 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.427 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.9 p -67.73 -28.5 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.989 0.423 . . . . 0.73 110.009 176.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.603 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.9 m -69.79 -52.42 25.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.25 110.807 175.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.662 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.5 p -63.72 -36.45 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.609 0.243 . . . . 0.28 110.951 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -67.96 -26.21 65.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.144 0.497 . . . . 0.91 109.877 177.236 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' 1869 ' ' GLN . 8.1 tp10 -76.98 -38.48 53.09 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.564 -0.532 . . . . 0.57 109.564 176.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' 1867 ' ' THR . 82.1 mtp -62.16 -43.04 99.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 1.25 110.95 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 13.9 p -63.24 -39.08 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.59 110.455 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 26.1 m -71.37 -48.97 46.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.743 -0.662 . . . . 0.44 110.999 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.853 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 7.4 mmpt? -65.75 -29.08 69.54 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.233 -0.439 . . . . 1.4 111.699 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 27.8 t -61.54 -24.65 66.77 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.637 -0.425 . . . . 1.11 110.78 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -78.24 -38.95 41.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.76 111.429 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 17.1 p -108.19 -40.11 5.28 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.107 0.78 . . . . 1.32 113.107 -172.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 64.4 m -138.84 85.57 16.38 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.373 -0.376 . . . . 1.17 111.291 -170.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.87 -20.82 72.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.44 2.093 . . . . 0.67 112.064 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.84 -20.29 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 2.24 111.229 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' 1885 ' ' LEU . 16.4 mm-40 -80.87 -15.5 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.561 -0.29 . . . . 1.89 111.4 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.652 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 85.7 mt -65.31 -38.11 89.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.456 -0.338 . . . . 0.34 111.747 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.69 -54.72 31.69 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.855 -0.688 . . . . 0.38 113.018 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.08 -40.13 87.42 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.703 2.269 . . . . 0.58 112.836 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.8 mt -72.64 -40.23 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.698 -0.228 . . . . 0.37 110.913 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.79 70.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.215 0.531 . . . . 0.36 110.177 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 2.3 t30 -69.72 -40.06 76.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 1.43 110.616 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -71.04 -41.76 70.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.612 -0.722 . . . . 1.07 110.795 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.401 HD12 ' HB ' ' A' 1864 ' ' ILE . 52.6 tp -58.63 -39.42 80.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.25 109.732 175.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 51.6 m -65.75 -50.01 66.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.365 -0.834 . . . . 0.28 111.609 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 76.2 p -66.45 -49.6 66.16 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.82 0.343 . . . . 1.17 110.944 -173.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.562 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.1 m-20 -60.02 -37.91 81.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.825 -0.625 . . . . 0.8 111.351 177.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1893 ' ' TYR . . . . . 0.438 ' CE2' HG23 ' A' 1831 ' ' ILE . 74.8 t80 -61.62 -47.57 84.85 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.033 -0.267 . . . . 0.31 110.697 177.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.46 -38.76 81.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.859 -0.686 . . . . 0.31 111.898 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' 1899 ' ' GLN . 76.9 mtp180 -66.83 -50.15 63.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.02 0.438 . . . . 3.04 110.409 177.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.663 HD23 ' HB ' ' A' 1860 ' ' THR . 1.7 tm? -60.77 -38.61 85.85 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.558 -0.746 . . . . 0.86 110.707 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1897 ' ' ALA . . . . . 0.402 ' O ' HD21 ' A' 1838 ' ' LEU . . . -66.4 -32.7 74.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.49 111.286 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 51.9 m -67.52 -34.87 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 1.38 110.792 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' 1895 ' ' ARG . 66.8 mt-30 -72.83 -24.84 60.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 1.56 111.092 -175.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.51 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 0.34 112.031 -176.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.47 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 55.5 mtmt -66.51 -59.11 8.75 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.622 -0.263 . . . . 2.27 111.707 -177.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.47 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 35.5 Cg_endo -66.37 -29.58 45.66 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.657 1.571 . . . . 0.6 112.204 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.73 -45.94 87.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.88 0.371 . . . . 0.39 110.574 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.87 -38.45 82.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.701 -0.681 . . . . 0.46 111.476 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.929 HG21 ' HA2' ' A' 1844 ' ' GLY . 43.8 t -75.73 -36.42 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.941 -0.572 . . . . 1.26 111.137 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -72.3 -17.43 61.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.64 112.019 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.83 166.63 15.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 0.85 110.976 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -39.06 13.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.462 -0.336 . . . . 2.67 111.269 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.456 ' HB3' HG12 ' A' 1912 ' ' ILE . 19.3 t-20 -110.12 132.84 53.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.149 -0.315 . . . . 2.18 110.149 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.93 -41.52 87.52 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.275 -0.421 . . . . 2.24 112.018 -174.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.41 -22.47 66.2 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.634 0.254 . . . . 2.49 111.158 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' 1909 ' ' ASN . 37.9 mm -73.65 -47.79 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.451 -0.574 . . . . 0.89 109.451 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -63.4 -39.96 98.34 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.782 -0.723 . . . . 0.51 111.646 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.5 87.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.037 0.446 . . . . 0.46 110.357 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.8 t-160 -64.44 -43.23 94.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.874 -0.603 . . . . 1.62 110.175 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 83.7 mt -57.91 -55.08 23.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.4 111.169 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' 1921 ' ' GLN . 20.0 ptpt -65.36 -39.4 92.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 1.36 111.405 -175.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 62.4 m170 -71.82 -29.49 64.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.887 0.329 . . . . 1.91 111.887 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.611 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 2.4 mmp_? -70.09 -31.62 69.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.715 -0.394 . . . . 2.55 110.601 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 80.8 t -64.75 -32.92 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.241 0.543 . . . . 0.35 110.345 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.751 ' NE2' ' HA ' ' A' 1835 ' ' ILE . 4.5 mm100 -70.57 -22.28 62.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.744 -0.662 . . . . 1.22 111.19 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.665 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 17.5 mm-40 -55.63 -37.72 68.56 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.135 -0.691 . . . . 1.49 109.135 169.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.707 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.9 mt -77.98 -34.96 50.64 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.839 -0.619 . . . . 0.67 109.531 174.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1924 ' ' GLY . . . . . 0.407 ' O ' HD11 ' A' 1835 ' ' ILE . . . -51.24 -34.47 32.85 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.498 -0.858 . . . . 0.64 112.078 174.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -85.18 -55.2 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.678 -0.307 . . . . 0.69 110.521 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -65.07 -49.62 61.41 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.26 -0.495 . . . . 0.25 113.698 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.707 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 89.5 m -64.49 -39.31 93.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.855 0.327 . . . . 1.22 110.806 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1928 ' ' SER . . . . . 0.49 ' HB2' HG21 ' A' 1831 ' ' ILE . 7.8 t -60.7 -43.63 97.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.22 0.533 . . . . 1.03 109.79 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.61 -43.25 80.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.509 -0.768 . . . . 0.28 110.743 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.557 HD11 HG23 ' A' 1868 ' ' VAL . 0.3 OUTLIER -58.58 -52.95 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.28 110.857 -178.523 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.408 HG23 HG11 ' A' 1824 ' ' VAL . 18.4 m -64.38 -33.87 65.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 0.26 110.936 -177.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.3 m -68.99 -44.43 72.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.04 -0.527 . . . . 0.8 110.254 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.621 ' HE3' HG23 ' A' 1946 ' ' THR . 41.1 tptt -65.59 -39.84 92.04 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.816 -0.629 . . . . 1.27 110.654 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1934 ' ' ALA . . . . . 0.652 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -60.9 -43.41 98.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.3 110.987 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1935 ' ' GLY . . . . . 0.609 ' HA3' HG11 ' A' 1823 ' ' VAL . . . -61.35 -43.28 99.56 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.625 -0.798 . . . . 0.4 111.82 177.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.52 63.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.361 . . . . 0.5 111.013 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.611 HD12 HD12 ' A' 1882 ' ' LEU . 3.2 tm? -74.19 -40.57 62.41 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 109.715 -0.476 . . . . 0.41 109.715 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.416 ' O ' ' HD3' ' A' 1941 ' ' PRO . 22.3 mt-30 -65.02 -25.87 68.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.823 0.344 . . . . 1.06 111.147 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.7 m -70.11 -27.97 65.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.17 -0.468 . . . . 1.43 110.539 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 67.7 m -144.53 69.62 15.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.604 -0.517 . . . . 0.8 109.604 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' 1938 ' ' GLN . 49.6 Cg_endo -68.38 -4.08 12.18 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.939 2.426 . . . . 0.69 112.675 -173.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 42.6 t -93.38 -13.37 28.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.885 -0.598 . . . . 1.54 110.399 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.81 115.2 21.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.128 0.49 . . . . 1.16 110.574 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 45.0 t -75.79 -29.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.837 -0.619 . . . . 1.33 110.87 -176.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.527 ' O ' ' HG3' ' A' 1949 ' ' GLU . 38.3 t80 -60.63 -52.77 63.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 1.91 110.28 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.621 HG23 ' HE3' ' A' 1933 ' ' LYS . 32.8 m -60.27 -40.29 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.6 110.849 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -62.72 -46.26 88.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 1.2 110.677 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -58.1 -44.23 87.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 2.67 110.409 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' 1945 ' ' TYR . 44.0 mt-10 -59.73 -37.85 80.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.716 -0.674 . . . . 1.53 111.153 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.58 -40.66 69.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.625 -0.262 . . . . 0.31 110.942 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1951 ' ' ILE . . . . . . . . . . . . . 80.5 mt -55.41 -45.12 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.35 111.055 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' 1956 ' ' ARG . 8.6 pt-20 -72.88 -36.1 67.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.637 -0.256 . . . . 2.11 110.916 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.51 ' O ' HG23 ' A' 1957 ' ' VAL . 87.4 m -60.25 -42.76 95.98 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.619 0.247 . . . . 0.88 110.51 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.94 95.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.25 110.966 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' 1959 ' ' GLU . 78.1 mtt180 -60.39 -46.13 91.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 3.21 110.425 176.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' 1952 ' ' GLU . 50.7 mtp180 -59.77 -44.56 93.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.694 -0.685 . . . . 3.16 111.37 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.662 ' HB ' HG21 ' A' 1868 ' ' VAL . 85.7 t -62.38 -44.05 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.3 110.766 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 37.9 m -57.4 -35.78 70.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 1.13 111.212 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.8 mt-10 -70.5 -31.26 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.312 0.577 . . . . 1.86 110.683 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.665 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.2 mmtt -71.33 -37.66 71.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.01 -0.541 . . . . 0.65 110.676 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.83 HG11 ' HB2' ' A' 1865 ' ' ALA . 21.7 t -55.99 -42.23 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 O-C-N 123.411 0.445 . . . . 0.27 110.854 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 12.1 m -57.95 -37.61 74.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 1.3 110.965 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.402 ' HB3' ' HD3' ' A' 1919 ' ' ARG . 76.1 m80 -77.25 -30.71 54.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.563 . . . . 1.11 110.782 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' 1960 ' ' LYS . 60.9 t -66.24 -49.02 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.115 0.483 . . . . 0.35 109.794 175.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 61.3 mt -57.68 -48.82 78.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.457 -0.792 . . . . 0.35 110.765 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.2 68.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.876 -0.602 . . . . 0.4 111.704 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1967 ' ' ALA . . . . . 0.549 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -62.54 -30.82 71.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.474 -0.33 . . . . 0.46 111.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.611 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -70.4 -51.14 31.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.5 110.749 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1969 ' ' GLN . . . . . 0.476 ' HG2' ' HD2' ' A' 1973 ' ' ARG . 16.2 mp0 -72.04 -16.85 62.05 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.968 -0.293 . . . . 1.7 110.836 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.93 71.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.091 -0.504 . . . . 0.93 110.719 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -78.01 -74.53 1.01 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.683 -0.77 . . . . 2.0 111.413 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -140.14 147.34 40.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.084 -0.339 . . . . 5.01 110.084 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1973 ' ' ARG . . . . . 0.476 ' HD2' ' HG2' ' A' 1969 ' ' GLN . 75.6 ttt180 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.262 -0.875 . . . . 7.5 110.008 177.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.084 -0.406 . . . . 21.55 112.084 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 9.9 tp -155.16 146.31 13.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.737 -0.468 . . . . 20.33 109.737 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -74.78 145.17 81.22 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.84 -0.43 . . . . 19.2 109.84 177.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -44.58 -61.85 0.53 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.557 2.838 . . . . 18.2 113.592 -174.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 68.4 t80 -123.55 95.61 4.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.902 0.382 . . . . 20.33 110.308 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 9.8 t -76.01 126.22 30.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.068 -0.716 . . . . 16.69 109.068 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 49.7 t30 -122.92 127.08 48.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 16.15 110.78 -173.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -93.0 147.23 23.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.288 -0.415 . . . . 14.41 110.209 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -159.46 178.81 9.51 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.258 -0.645 . . . . 12.08 109.258 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -76.83 71.2 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.29 0.567 . . . . 10.45 110.278 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 43.0 t -175.41 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.359 -0.837 . . . . 8.54 110.067 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 65.32 -71.6 0.08 Allowed 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.855 0.722 . . . . 6.8 110.639 -174.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -153.38 -44.52 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.024 -0.732 . . . . 4.72 109.024 174.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 78.5 -9.87 33.0 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 115.722 -0.672 . . . . 3.52 113.571 171.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 37.4 t -75.11 -54.37 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 2.13 110.788 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.658 HG11 ' HB ' ' A' 1931 ' ' VAL . 46.4 t -123.88 -0.11 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.07 -0.514 . . . . 1.83 110.624 -175.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -56.45 -37.14 73.18 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 116.014 -0.539 . . . . 2.1 112.848 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -85.72 -23.57 45.82 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.664 -0.779 . . . . 0.91 112.101 178.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.544 ' HB3' HG21 ' A' 1890 ' ' THR . 62.2 mtm -78.42 -40.64 35.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.53 0.205 . . . . 1.1 111.458 -177.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 14.9 p -61.61 -27.65 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.281 0.562 . . . . 0.74 110.099 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.31 -44.56 96.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.568 -0.742 . . . . 0.87 110.376 175.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 16.0 t -61.57 -45.61 93.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.953 -0.567 . . . . 0.97 110.337 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.414 ' O ' HG13 ' A' 1835 ' ' ILE . 59.6 mt -59.78 -44.01 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.861 -0.609 . . . . 0.32 110.492 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1832 ' ' THR . . . . . 0.429 ' O ' ' HB ' ' A' 1835 ' ' ILE . 29.2 m -67.34 -41.99 84.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.93 -0.577 . . . . 0.61 111.109 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -62.67 -38.44 90.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.229 0.537 . . . . 2.49 110.478 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -63.19 -27.91 69.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.34 111.16 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1835 ' ' ILE . . . . . 0.429 ' HB ' ' O ' ' A' 1832 ' ' THR . 75.4 mt -64.2 -43.13 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.498 . . . . 0.49 110.381 175.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -64.92 -41.95 95.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.629 -0.714 . . . . 0.72 111.754 -173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1837 ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' 1834 ' ' ALA . 29.2 pt20 -66.22 -34.88 79.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.873 -173.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1838 ' ' LEU . . . . . 0.594 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 97.3 mt -69.85 -42.08 74.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.342 . . . . 0.79 111.569 -173.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 32.3 t70 -87.41 -2.78 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.355 0.598 . . . . 1.79 109.998 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.1 -72.74 0.55 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.788 -0.642 . . . . 3.25 110.031 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1841 ' ' GLY . . . . . 0.452 ' HA2' ' HD3' ' A' 1842 ' ' PRO . . . -160.71 122.26 1.1 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.872 -0.68 . . . . 1.73 112.197 -178.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1842 ' ' PRO . . . . . 0.452 ' HD3' ' HA2' ' A' 1841 ' ' GLY . 3.9 Cg_exo -80.04 163.85 22.7 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.191 2.594 . . . . 2.43 111.903 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1843 ' ' MET . . . . . 0.662 ' H ' ' HB3' ' A' 1901 ' ' LYS . 73.6 mtm -76.08 121.45 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.456 -0.338 . . . . 5.03 110.32 177.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -80.62 -173.21 46.54 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.745 -0.741 . . . . 1.86 111.733 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 56.27 73.25 0.85 Allowed Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 122.644 0.378 . . . . 3.08 110.617 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -65.71 106.8 0.96 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.123 1.882 . . . . 1.21 111.63 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.67 -7.16 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.399 0.619 . . . . 2.82 110.615 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -137.39 177.63 19.68 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.865 -0.894 . . . . 1.14 110.865 176.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 28.7 m -95.56 164.08 12.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.953 0.377 . . . . 1.64 110.1 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.501 ' HE1' HD11 ' A' 1916 ' ' ILE . 87.8 t80 -54.92 -37.29 66.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.072 -0.513 . . . . 0.68 111.088 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.0 p -56.29 -38.45 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.261 -0.427 . . . . 0.79 111.675 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.18 -50.5 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.684 0.278 . . . . 1.71 110.485 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.49 -36.89 83.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.244 -0.434 . . . . 1.07 110.296 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.697 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 33.4 tt0 -57.74 -53.61 56.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.887 -0.597 . . . . 0.99 110.444 175.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 32.6 m -62.08 -31.3 71.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.746 -0.661 . . . . 1.46 111.343 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1856 ' ' THR . . . . . 0.403 ' HA ' HH21 ' A' 1859 ' ' ARG . 20.2 m -78.19 -44.31 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.961 -0.296 . . . . 0.42 111.006 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 71.9 mtp -63.98 -44.29 93.15 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.16 0.43 . . . . 0.71 112.16 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.8 m -60.73 -36.03 68.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.716 -0.394 . . . . 0.29 110.954 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.403 HH21 ' HA ' ' A' 1856 ' ' THR . 61.7 mtm180 -67.0 -41.2 87.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.753 0.311 . . . . 3.02 110.828 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.523 ' HB ' HD21 ' A' 1896 ' ' LEU . 4.0 m -72.87 -36.56 67.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.289 -0.414 . . . . 0.35 110.981 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.544 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.48 -50.38 69.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 0.25 110.795 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' 1858 ' ' VAL . 54.0 mtmt -61.89 -24.68 67.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.054 0.454 . . . . 1.31 110.903 175.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1863 ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' 1866 ' ' VAL . . . -72.69 -37.98 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.41 111.29 177.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.644 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -79.43 -24.27 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.597 -0.441 . . . . 0.28 110.26 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.863 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -69.01 -32.65 72.35 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.035 -0.53 . . . . 0.2 111.659 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.443 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.8 p -74.55 -26.9 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.482 -0.487 . . . . 0.73 109.938 176.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.605 ' O ' ' HG3' ' A' 1871 ' ' MET . 46.6 m -68.8 -53.39 21.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.25 110.612 176.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.867 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.3 p -61.08 -40.51 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.674 0.273 . . . . 0.28 111.286 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.443 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.04 -25.96 67.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.213 0.53 . . . . 0.91 110.109 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' 1869 ' ' GLN . 9.2 tp10 -77.55 -40.51 42.24 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.105 -0.498 . . . . 0.57 109.974 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.605 ' HG3' ' O ' ' A' 1867 ' ' THR . 84.9 mtp -60.81 -38.33 85.05 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.352 -0.385 . . . . 1.25 111.738 -174.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.457 HG23 HG23 ' A' 1951 ' ' ILE . 7.7 p -63.3 -38.32 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.394 0.616 . . . . 0.59 110.843 178.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 54.7 m -78.96 -37.48 39.44 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.483 -0.781 . . . . 0.44 110.912 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.866 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 9.0 mmpt? -70.81 -38.03 73.27 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 116.073 -0.512 . . . . 1.4 112.205 -176.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 10.1 p -61.4 -26.94 68.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.174 0.511 . . . . 1.11 110.713 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1876 ' ' ASN . . . . . 0.404 ' HA ' ' HD2' ' A' 1947 ' ' LYS . 8.6 m120 -81.48 -25.78 35.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.594 -0.73 . . . . 0.76 111.779 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 4.5 p -108.61 -50.41 3.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.215 0.45 . . . . 1.32 112.215 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1878 ' ' SER . . . . . 0.402 ' HA ' ' HD2' ' A' 1879 ' ' PRO . 4.7 t -141.86 91.87 8.04 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.228 -0.656 . . . . 1.17 109.228 -173.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' 1878 ' ' SER . 23.9 Cg_endo -60.94 -26.05 82.5 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.829 2.352 . . . . 0.67 113.176 -175.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1880 ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' 1880 ' ' GLU . 1.0 OUTLIER -80.57 -8.52 59.62 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.78 -0.368 . . . . 2.24 111.199 -178.64 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' 1885 ' ' LEU . 28.6 mt-10 -80.83 -9.69 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 1.89 110.557 174.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.468 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 96.5 mt -69.43 -34.54 74.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.34 111.418 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1883 ' ' GLY . . . . . 0.43 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -59.0 -55.61 29.92 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 121.019 -0.61 . . . . 0.38 113.484 -178.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' 1883 ' ' GLY . 11.1 Cg_endo -57.68 -32.23 94.06 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.444 2.096 . . . . 0.58 112.574 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.663 HD11 ' HG3' ' A' 1874 ' ' LYS . 80.2 mt -76.04 -44.55 38.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.415 -0.357 . . . . 0.37 110.788 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1886 ' ' ALA . . . . . 0.511 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -56.48 -34.18 66.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.273 0.559 . . . . 0.36 109.795 174.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 2.3 t30 -70.37 -45.25 66.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.476 -0.784 . . . . 1.43 110.864 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -71.83 -36.29 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 1.07 110.759 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.53 -32.97 74.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.575 -0.528 . . . . 0.25 109.575 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1890 ' ' THR . . . . . 0.544 HG21 ' HB3' ' A' 1827 ' ' MET . 39.3 m -71.85 -51.28 23.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.533 -0.758 . . . . 0.28 111.352 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 20.2 p -63.96 -51.29 65.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 1.17 111.659 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.491 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.1 m-20 -64.42 -31.21 72.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.822 -0.626 . . . . 0.8 111.744 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1893 ' ' TYR . . . . . 0.444 ' HE2' ' HB3' ' A' 1834 ' ' ALA . 72.0 t80 -62.94 -41.43 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.825 -0.35 . . . . 0.31 110.305 175.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.04 63.69 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.014 -0.612 . . . . 0.31 112.082 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.88 -53.02 36.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.669 -0.493 . . . . 3.04 109.669 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.523 HD21 ' HB ' ' A' 1860 ' ' THR . 19.4 mt -60.39 -41.19 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.86 111.444 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1897 ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -61.39 -27.58 68.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 0.49 111.302 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 37.7 m -84.74 -40.22 17.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.355 -0.384 . . . . 1.38 110.499 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.515 ' O ' ' HD2' ' A' 1902 ' ' PRO . 65.2 mt-30 -73.71 -27.38 61.17 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.849 -0.614 . . . . 1.56 112.134 -175.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.52 -25.63 68.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.861 0.363 . . . . 0.34 111.634 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.662 ' HB3' ' H ' ' A' 1843 ' ' MET . 59.6 mtmt -70.03 -55.03 8.91 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.336 -0.393 . . . . 2.27 111.844 -178.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.657 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 24.0 Cg_exo -64.05 -29.91 66.0 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.967 1.778 . . . . 0.6 112.042 175.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.83 96.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.39 110.65 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.65 98.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.601 . . . . 0.46 111.472 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 9.4 p -75.69 -26.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.868 0.365 . . . . 1.26 111.145 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -77.5 -18.23 57.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.64 110.98 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.5 143.89 51.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.025 -0.534 . . . . 0.85 110.181 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.52 -3.75 58.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.859 0.361 . . . . 2.67 111.228 -176.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.451 ' HB3' HG12 ' A' 1912 ' ' ILE . 7.2 t30 -135.78 131.62 35.72 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.922 -0.399 . . . . 2.18 109.922 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.99 -45.54 94.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.34 -0.391 . . . . 2.24 111.379 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1911 ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' 1915 ' ' HIS . 2.5 mp0 -58.69 -21.18 53.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.539 -0.301 . . . . 2.49 111.237 -178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.451 HG12 ' HB3' ' A' 1909 ' ' ASN . 43.1 mm -77.11 -48.58 24.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.763 -0.458 . . . . 0.89 109.763 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.56 -41.01 99.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.778 -0.725 . . . . 0.51 111.467 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.84 91.04 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.331 0.586 . . . . 0.46 110.457 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.584 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.4 t-160 -63.97 -46.48 84.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.424 -0.807 . . . . 1.62 110.279 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.501 HD11 ' HE1' ' A' 1850 ' ' PHE . 89.0 mt -58.55 -54.62 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.4 111.119 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.675 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.8 ptpt -61.14 -37.98 84.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 1.36 110.751 -177.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1918 ' ' HIS . . . . . 0.592 ' HD2' ' HG3' ' A' 1917 ' ' LYS . 4.4 m-70 -75.46 -25.05 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.268 0.469 . . . . 1.91 112.268 -177.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.673 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 0.5 OUTLIER -74.75 -31.12 61.71 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.278 -0.569 . . . . 2.55 110.48 175.155 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 32.4 t -73.14 -23.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.62 -0.511 . . . . 0.35 109.62 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.675 ' HG2' ' O ' ' A' 1917 ' ' LYS . 12.0 mm100 -64.21 -36.89 85.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.344 0.592 . . . . 1.22 109.526 172.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' 1919 ' ' ARG . 7.7 mm-40 -59.1 -49.08 79.23 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.187 -0.915 . . . . 1.49 109.592 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.03 -41.58 96.84 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.206 -0.906 . . . . 0.67 110.537 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -52.54 -53.15 33.63 Favored Glycine 0 C--O 1.223 -0.574 0 C-N-CA 121.184 -0.531 . . . . 0.64 112.703 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -75.11 -37.17 61.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.129 0.464 . . . . 0.69 111.027 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.06 -54.13 19.06 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.933 -0.651 . . . . 0.25 112.438 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.454 ' O ' HG22 ' A' 1931 ' ' VAL . 72.0 m -61.36 -40.4 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.375 -0.231 . . . . 1.22 110.375 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 9.5 m -53.91 -52.01 61.92 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.872 0.368 . . . . 1.03 110.934 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.98 -44.22 97.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.905 -0.589 . . . . 0.28 111.043 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.538 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.46 -53.1 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.28 111.044 -177.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.658 ' HB ' HG11 ' A' 1824 ' ' VAL . 33.3 m -66.05 -31.25 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.851 0.358 . . . . 0.26 111.0 -177.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 98.8 m -70.0 -44.01 70.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.158 0.504 . . . . 0.8 110.442 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.473 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 40.4 tptt -65.03 -40.68 95.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.776 -0.647 . . . . 1.27 110.194 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1934 ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -59.7 -41.07 89.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 0.3 111.346 176.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.81 98.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.866 -0.683 . . . . 0.4 111.934 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.15 -33.69 63.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.644 0.259 . . . . 0.5 110.917 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.08 -40.29 86.97 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.768 -0.456 . . . . 0.41 109.768 -178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.09 -25.67 68.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.758 0.313 . . . . 1.06 111.334 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 79.4 m -77.19 -15.15 59.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.356 . . . . 1.43 111.163 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 56.3 m -153.89 66.66 5.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.335 -0.617 . . . . 0.8 109.335 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.04 -14.98 48.25 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.195 2.597 . . . . 0.69 113.191 -170.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 49.0 m -87.84 -13.79 41.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.02 -0.536 . . . . 1.54 112.028 -174.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.92 117.99 20.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.123 0.487 . . . . 1.16 110.421 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 26.0 t -71.95 -34.52 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.692 -0.685 . . . . 1.33 111.32 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.402 ' O ' ' HG3' ' A' 1949 ' ' GLU . 65.4 t80 -63.27 -49.94 72.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.518 -0.31 . . . . 1.91 110.99 -177.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 20.2 m -59.89 -41.86 92.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.065 0.46 . . . . 0.6 110.609 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.416 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 36.7 ttpt -65.68 -42.9 90.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.697 -0.683 . . . . 1.2 110.539 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' 1952 ' ' GLU . 4.0 ttmp? -58.59 -41.16 85.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 2.67 110.792 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.473 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 29.4 mt-10 -67.89 -34.48 76.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.42 -0.354 . . . . 1.53 111.158 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -65.9 -37.87 87.24 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.726 -0.472 . . . . 0.31 109.726 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.504 ' O ' ' HG2' ' A' 1955 ' ' ARG . 86.2 mt -55.45 -45.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.996 -0.547 . . . . 0.35 109.891 174.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' 1948 ' ' LYS . 35.9 mt-10 -65.05 -40.63 95.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 2.11 110.622 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 73.1 m -59.98 -41.14 91.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.906 0.384 . . . . 0.88 110.534 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.33 92.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.944 -0.571 . . . . 0.25 111.116 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' 1951 ' ' ILE . 28.7 mmt180 -59.31 -44.35 92.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.015 0.436 . . . . 3.21 109.929 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' 1960 ' ' LYS . 2.5 mmp_? -56.84 -50.88 71.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.418 -0.81 . . . . 3.16 110.785 -178.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.867 ' HB ' HG21 ' A' 1868 ' ' VAL . 39.8 t -61.32 -47.47 93.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.851 -0.613 . . . . 0.3 110.705 -178.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 34.4 t -56.18 -41.8 76.08 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.306 -0.406 . . . . 1.13 110.726 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' 1955 ' ' ARG . 44.5 mt-10 -62.56 -41.91 99.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.216 0.532 . . . . 1.86 110.877 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.584 ' O ' HG23 ' A' 1964 ' ' VAL . 29.9 mmtp -73.86 -32.42 63.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 0.65 111.746 -173.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.863 HG11 ' HB2' ' A' 1865 ' ' ALA . 59.0 t -56.35 -46.88 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.9 0.381 . . . . 0.27 110.523 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1962 ' ' SER . . . . . 0.409 ' HA ' HD12 ' A' 1965 ' ' LEU . 15.6 m -62.64 -31.6 72.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.064 -0.516 . . . . 1.3 110.727 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 38.9 m170 -72.02 -37.13 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 1.11 110.168 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.615 HG22 ' HB3' ' A' 1919 ' ' ARG . 48.6 t -66.52 -46.62 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.35 110.0 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' 1962 ' ' SER . 69.1 mt -55.99 -46.51 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.35 110.665 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.84 73.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.4 111.329 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.3 -28.61 69.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.46 110.864 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.697 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -71.93 -50.93 24.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.5 111.444 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -68.61 -26.4 65.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.589 -0.444 . . . . 1.7 110.57 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -65.55 -25.98 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.93 110.988 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1971 ' ' GLY . . . . . 0.41 ' HA3' HG21 ' A' 1912 ' ' ILE . . . -90.84 3.35 80.99 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.731 -0.747 . . . . 2.0 112.471 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 48.1 t30 -144.71 81.17 1.65 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.17 0.51 . . . . 5.01 110.497 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.106 -0.949 . . . . 7.5 109.942 177.627 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.47 -0.652 . . . . 21.55 111.47 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 26.1 pt -85.05 -20.66 8.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.299 0.571 . . . . 20.33 110.119 178.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1811 ' ' ASP . . . . . 0.457 ' HA ' ' HD3' ' A' 1812 ' ' PRO . 16.4 t70 -109.82 136.97 20.32 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.596 -0.729 . . . . 19.2 109.575 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1812 ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' 1811 ' ' ASP . 10.2 Cg_exo -72.34 13.42 0.54 Allowed 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.343 2.695 . . . . 18.2 113.409 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 99.0 m-85 66.33 87.26 0.12 Allowed 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 122.933 0.493 . . . . 20.33 111.136 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 59.1 p 59.48 125.74 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.669 1.187 . . . . 16.69 112.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -76.44 70.53 3.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.527 0.68 . . . . 16.15 110.258 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.596 ' HB3' ' HB2' ' A' 1884 ' ' PRO . 10.4 tp10 65.98 93.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.754 -1.112 . . . . 14.41 111.028 -177.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -120.91 11.2 11.02 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.229 -0.896 . . . . 12.08 110.192 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -98.53 -49.05 4.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 10.45 110.257 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 19.8 m -87.84 104.25 16.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 8.54 110.473 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -104.25 123.14 46.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.346 -0.388 . . . . 6.8 110.511 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -165.91 -50.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.172 -0.467 . . . . 4.72 110.457 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1822 ' ' GLY . . . . . 0.567 ' HA2' ' HA3' ' A' 1883 ' ' GLY . . . 83.1 -62.0 4.7 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.739 -0.743 . . . . 3.52 111.406 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 12.7 p -100.86 149.28 6.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.239 -0.652 . . . . 2.13 109.239 175.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.775 ' HB ' ' HB ' ' A' 1828 ' ' VAL . 12.6 m -76.74 99.84 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 122.076 0.941 . . . . 1.83 112.098 -176.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -146.34 107.95 0.43 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.441 -1.254 . . . . 2.1 110.786 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 112.05 -60.85 0.32 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.815 -0.707 . . . . 0.91 112.207 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.767 ' HE1' ' HA ' ' A' 1824 ' ' VAL . 0.0 OUTLIER -80.33 -26.08 38.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.961 0.38 . . . . 1.1 111.113 -176.477 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1828 ' ' VAL . . . . . 0.775 ' HB ' ' HB ' ' A' 1824 ' ' VAL . 12.5 p -62.74 -26.1 39.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.95 0.405 . . . . 0.74 110.555 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.98 -34.54 65.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.869 -0.605 . . . . 0.87 111.063 175.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 41.1 m -65.71 -23.88 66.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.917 -0.583 . . . . 0.97 111.688 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.475 HG13 HG23 ' A' 1890 ' ' THR . 67.4 mt -72.55 -51.32 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.059 0.457 . . . . 0.32 109.952 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 7.0 m -66.01 -37.69 86.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.843 -0.617 . . . . 0.61 110.692 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -61.34 -39.21 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.331 -0.395 . . . . 2.49 110.581 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.531 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -60.69 -35.31 75.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 0.34 111.001 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1835 ' ' ILE . . . . . 0.436 HD11 ' O ' ' A' 1924 ' ' GLY . 50.6 mt -63.61 -46.13 95.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.277 -0.42 . . . . 0.49 110.018 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -65.66 -46.84 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.654 -0.703 . . . . 0.72 111.755 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1837 ' ' GLN . . . . . 0.531 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 13.6 pt20 -63.33 -38.53 91.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.782 0.325 . . . . 1.0 111.361 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1838 ' ' LEU . . . . . 0.518 HD23 ' HG2' ' A' 1901 ' ' LYS . 30.8 mt -67.74 -44.57 77.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.522 -0.308 . . . . 0.79 110.666 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.29 -41.36 96.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 1.79 110.259 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.45 -49.07 68.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.584 -0.734 . . . . 3.25 110.851 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 147.78 167.75 13.61 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.568 -0.825 . . . . 1.73 112.393 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1842 ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' 1901 ' ' LYS . 2.4 Cg_endo -81.73 173.9 10.84 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.123 2.549 . . . . 2.43 111.703 177.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 26.2 mmt -97.08 -17.29 20.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.829 0.347 . . . . 5.03 110.257 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1844 ' ' GLY . . . . . 0.689 ' HA2' HG21 ' A' 1905 ' ' VAL . . . 70.42 -165.72 51.6 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.943 -0.646 . . . . 1.86 111.983 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 48.6 m-20 52.57 67.44 3.92 Favored Pre-proline 0 C--O 1.236 0.356 0 C-N-CA 122.96 0.504 . . . . 3.08 111.672 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -74.33 148.55 38.73 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.168 1.912 . . . . 1.21 111.734 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -87.49 -37.87 16.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.249 0.547 . . . . 2.82 110.202 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -118.32 -171.52 15.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.672 -0.775 . . . . 1.14 111.822 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1849 ' ' SER . . . . . 0.401 ' HB2' HG12 ' A' 1851 ' ' VAL . 15.1 m -88.55 172.77 9.07 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.073 -0.343 . . . . 1.64 110.073 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.534 ' HE1' HD11 ' A' 1916 ' ' ILE . 66.9 t80 -56.85 -39.66 74.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.428 -0.351 . . . . 0.68 110.907 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1851 ' ' VAL . . . . . 0.401 HG12 ' HB2' ' A' 1849 ' ' SER . 7.4 p -56.15 -37.04 47.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.257 -0.428 . . . . 0.79 111.909 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.88 -48.49 30.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 1.71 110.365 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -63.14 -34.36 77.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 1.07 110.559 177.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.688 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 30.9 tt0 -56.68 -57.1 13.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 0.99 110.251 174.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.417 ' HA ' HG22 ' A' 1858 ' ' VAL . 12.0 m -61.8 -35.31 77.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.659 -0.701 . . . . 1.46 110.751 -178.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 27.8 m -65.78 -44.5 85.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.081 0.467 . . . . 0.42 110.596 177.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1857 ' ' MET . . . . . 0.493 ' SD ' ' HB2' ' A' 1899 ' ' GLN . 67.7 mmm -68.01 -45.38 74.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.71 111.773 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.672 ' O ' ' HG3' ' A' 1862 ' ' LYS . 25.8 m -63.66 -34.39 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.699 -0.4 . . . . 0.29 111.538 -175.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -65.4 -38.65 90.59 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.939 0.399 . . . . 3.02 110.79 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.621 ' HB ' HD21 ' A' 1896 ' ' LEU . 20.4 m -75.72 -36.03 60.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.545 . . . . 0.35 110.448 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.494 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.83 -45.68 91.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 0.25 111.199 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' 1858 ' ' VAL . 86.5 mttt -59.45 -35.8 74.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 1.31 110.318 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.97 83.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.545 -0.752 . . . . 0.41 111.458 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.703 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -74.92 -25.88 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.201 -0.599 . . . . 0.28 109.879 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.82 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -71.17 -39.04 72.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.099 -0.501 . . . . 0.2 111.311 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' 1869 ' ' GLN . 14.9 p -73.28 -23.62 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.233 0.54 . . . . 0.73 109.873 175.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.584 ' O ' ' HG3' ' A' 1871 ' ' MET . 75.1 m -69.65 -52.58 24.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 0.25 110.362 174.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.832 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.1 p -61.28 -38.75 80.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 121.182 -0.207 . . . . 0.28 110.971 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' 1866 ' ' VAL . 3.4 pp0? -66.27 -29.04 69.19 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.568 -0.453 . . . . 0.91 109.922 178.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -75.59 -33.15 60.55 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 109.573 -0.529 . . . . 0.57 109.573 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.584 ' HG3' ' O ' ' A' 1867 ' ' THR . 80.3 mtp -66.11 -45.11 82.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.402 -0.363 . . . . 1.25 110.798 -178.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.445 ' HB ' ' CB ' ' A' 1954 ' ' ALA . 3.1 p -63.23 -42.14 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.554 0.693 . . . . 0.59 110.489 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.6 m -65.24 -46.81 79.08 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.982 -1.008 . . . . 0.44 111.303 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.671 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 8.1 mmpt? -74.74 -28.98 61.0 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 116.321 -0.4 . . . . 1.4 111.77 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.499 ' HA ' HD11 ' A' 1882 ' ' LEU . 26.7 t -59.76 -28.12 67.12 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.852 -0.53 . . . . 1.11 110.658 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -81.93 -33.31 30.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.831 -0.622 . . . . 0.76 111.755 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 10.9 p -108.36 -36.49 6.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.057 0.762 . . . . 1.32 113.057 -170.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1878 ' ' SER . . . . . 0.423 ' HB3' ' HG3' ' A' 1881 ' ' GLU . 73.2 m -148.48 88.7 5.27 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.264 -0.425 . . . . 1.17 110.743 -170.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' 1941 ' ' PRO . 10.4 Cg_exo -69.73 -22.57 32.04 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.709 2.273 . . . . 0.67 112.624 -176.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.99 -21.04 51.47 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.474 -0.49 . . . . 2.24 110.21 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' 1885 ' ' LEU . 33.7 mt-10 -79.22 -10.02 59.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 1.89 110.507 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' 1875 ' ' SER . 94.8 mt -68.52 -25.81 65.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.09 -0.505 . . . . 0.34 111.055 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1883 ' ' GLY . . . . . 0.567 ' HA3' ' HA2' ' A' 1822 ' ' GLY . . . -62.4 -56.03 24.13 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.925 -0.655 . . . . 0.38 113.67 -176.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.596 ' HB2' ' HB3' ' A' 1816 ' ' GLU . 17.8 Cg_endo -62.18 -30.81 82.47 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.239 1.959 . . . . 0.58 112.243 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.9 mt -71.14 -38.56 72.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.551 -0.295 . . . . 0.37 110.447 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1886 ' ' ALA . . . . . 0.59 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -58.89 -35.07 72.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.444 0.64 . . . . 0.36 109.696 175.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 11.1 m120 -74.55 -45.83 42.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.159 -0.928 . . . . 1.43 111.6 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -67.84 -40.31 83.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.863 0.32 . . . . 1.07 111.863 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.93 -32.99 74.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.146 0.498 . . . . 0.25 109.914 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1890 ' ' THR . . . . . 0.475 HG23 HG13 ' A' 1831 ' ' ILE . 53.4 m -70.02 -47.49 61.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.469 -0.787 . . . . 0.28 111.59 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 49.4 p -70.28 -47.07 62.85 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.197 0.522 . . . . 1.17 111.571 -172.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.57 -25.76 65.06 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.637 -0.711 . . . . 0.8 111.853 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -62.93 -43.71 98.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.31 110.374 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.31 -25.26 60.07 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.22 -0.514 . . . . 0.31 112.52 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' 1899 ' ' GLN . 58.8 mtp180 -68.94 -48.77 62.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.645 -0.502 . . . . 3.04 109.645 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.621 HD21 ' HB ' ' A' 1860 ' ' THR . 49.4 mt -59.59 -42.83 93.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.86 110.465 176.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1897 ' ' ALA . . . . . 0.471 ' HA ' HG11 ' A' 1920 ' ' VAL . . . -62.01 -34.63 76.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.514 . . . . 0.49 111.436 -179.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.6 t -75.43 -46.09 34.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.377 -0.374 . . . . 1.38 110.445 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.493 ' HB2' ' SD ' ' A' 1857 ' ' MET . 13.9 mt-30 -71.54 -25.73 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 1.56 111.561 -175.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.24 -27.57 69.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.34 111.994 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.781 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 30.6 mtmm -66.41 -57.16 13.17 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.64 -0.255 . . . . 2.27 111.275 -176.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.781 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 17.3 Cg_exo -67.78 -29.99 34.58 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.977 1.784 . . . . 0.6 111.893 176.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.36 93.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.289 -0.414 . . . . 0.39 110.686 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1904 ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -64.39 -35.91 82.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 0.46 111.194 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.689 HG21 ' HA2' ' A' 1844 ' ' GLY . 41.8 t -75.16 -41.01 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 1.26 110.711 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1906 ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -79.41 -8.0 58.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.048 -0.523 . . . . 0.64 111.277 -178.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -63.21 138.91 58.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.85 111.216 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.09 -47.09 75.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.821 -0.627 . . . . 2.67 110.878 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.698 ' HB2' HG12 ' A' 1912 ' ' ILE . 5.2 m-20 -98.23 146.33 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.129 -0.487 . . . . 2.18 111.156 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.13 -47.19 83.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 2.24 110.287 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.66 -41.78 91.35 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.333 -0.394 . . . . 2.49 110.676 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.698 HG12 ' HB2' ' A' 1909 ' ' ASN . 29.7 mm -58.22 -51.09 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.054 -0.521 . . . . 0.89 110.874 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.0 -42.1 99.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.558 -0.83 . . . . 0.51 112.103 178.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.92 92.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.135 0.493 . . . . 0.46 110.581 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.636 ' O ' ' HG2' ' A' 1919 ' ' ARG . 30.0 m-70 -66.98 -39.6 87.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.707 -0.678 . . . . 1.62 111.326 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' 1912 ' ' ILE . 92.2 mt -53.47 -51.98 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.996 0.427 . . . . 0.4 110.162 176.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.551 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.5 mtpp -55.96 -49.35 73.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.383 -0.826 . . . . 1.36 110.681 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -65.31 -34.09 77.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.958 -1.019 . . . . 1.91 112.526 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.725 ' HA ' ' HG3' ' A' 1922 ' ' GLU . 38.5 mmt180 -69.03 -36.17 77.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.004 0.431 . . . . 2.55 110.693 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.471 HG11 ' HA ' ' A' 1897 ' ' ALA . 40.3 t -70.9 -27.8 31.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.768 -0.456 . . . . 0.35 109.768 176.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' 1917 ' ' LYS . 12.9 mm100 -64.7 -36.1 83.19 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.213 -0.449 . . . . 1.22 109.87 174.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.725 ' HG3' ' HA ' ' A' 1919 ' ' ARG . 4.2 mt-10 -62.81 -49.29 75.54 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.273 -0.64 . . . . 1.49 109.273 176.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.402 HD11 HG21 ' A' 1964 ' ' VAL . 41.6 mt -59.8 -29.29 68.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.338 -0.847 . . . . 0.67 110.711 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1924 ' ' GLY . . . . . 0.436 ' O ' HD11 ' A' 1835 ' ' ILE . . . -64.35 -23.0 67.98 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.731 -0.668 . . . . 0.64 112.664 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -108.36 -19.07 13.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.961 0.41 . . . . 0.69 110.325 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1926 ' ' GLY . . . . . 0.574 ' HA2' ' HD3' ' A' 1956 ' ' ARG . . . -76.9 -58.98 3.3 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.005 -0.617 . . . . 0.25 112.001 175.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 61.9 m -61.3 -40.5 94.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 1.22 110.846 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 3.3 p -57.23 -52.24 66.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 1.03 111.09 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.42 91.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.28 111.072 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.55 HD11 HG23 ' A' 1868 ' ' VAL . 0.3 OUTLIER -63.35 -53.5 51.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.28 110.594 -178.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' 1886 ' ' ALA . 31.7 m -66.67 -30.61 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.402 -0.363 . . . . 0.26 110.969 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 92.1 m -67.93 -45.25 74.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.8 110.19 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.497 ' HE2' ' CB ' ' A' 1949 ' ' GLU . 29.6 tptt -66.48 -37.28 84.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.89 -0.596 . . . . 1.27 110.568 -177.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.14 81.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.221 -0.445 . . . . 0.3 111.095 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -62.85 -38.23 96.2 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.592 -0.814 . . . . 0.4 111.732 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.16 -34.85 61.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.793 0.33 . . . . 0.5 111.024 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' 1937 ' ' LEU . 3.0 tm? -67.96 -33.96 75.66 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.742 -0.466 . . . . 0.41 109.742 -178.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -68.6 -25.68 64.99 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.998 0.428 . . . . 1.06 110.978 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 67.8 m -77.57 -13.04 60.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.983 -0.553 . . . . 1.43 110.642 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 49.4 m -151.46 64.66 6.13 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.311 -0.626 . . . . 0.8 109.311 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.4 ' HB2' ' HG2' ' A' 1879 ' ' PRO . 56.0 Cg_endo -71.13 10.67 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.949 2.433 . . . . 0.69 113.717 -171.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 23.1 t -123.31 4.51 9.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.287 0.565 . . . . 1.54 109.846 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -86.52 131.97 34.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.0 -0.545 . . . . 1.16 110.398 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 42.3 t -79.99 -41.26 21.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.057 -0.52 . . . . 1.33 110.543 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 48.3 t80 -59.27 -54.39 47.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.154 -0.476 . . . . 1.91 111.323 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.418 HG23 ' HE3' ' A' 1933 ' ' LYS . 15.6 m -61.22 -41.01 96.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 0.6 111.064 -178.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.493 ' O ' HG13 ' A' 1951 ' ' ILE . 6.6 ttpm? -66.72 -42.32 86.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 1.2 110.499 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' 1948 ' ' LYS . 39.2 ttmt -59.42 -41.91 90.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 2.67 110.073 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.497 ' CB ' ' HE2' ' A' 1933 ' ' LYS . 47.0 mt-10 -63.71 -40.42 96.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.037 -0.528 . . . . 1.53 110.59 176.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.5 tt -64.23 -40.06 95.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.442 -0.344 . . . . 0.31 110.394 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' 1947 ' ' LYS . 78.6 mt -59.57 -41.75 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.942 -0.392 . . . . 0.35 109.942 176.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.41 -43.58 98.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.143 -0.481 . . . . 2.11 110.313 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.615 ' O ' HG23 ' A' 1957 ' ' VAL . 82.3 m -60.79 -42.75 98.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.565 . . . . 0.88 110.88 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1954 ' ' ALA . . . . . 0.445 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -62.53 -46.79 86.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.25 110.778 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.53 ' O ' ' HG3' ' A' 1959 ' ' GLU . 98.9 mtt180 -60.68 -33.13 72.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.02 -0.536 . . . . 3.21 110.452 178.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' 1960 ' ' LYS . 0.0 OUTLIER -66.89 -33.25 75.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.886 -0.597 . . . . 3.16 110.504 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.832 ' HB ' HG21 ' A' 1868 ' ' VAL . 37.9 t -77.48 -45.86 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.3 110.561 -178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 69.5 m -54.77 -37.91 66.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.97 -0.559 . . . . 1.13 111.403 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' 1955 ' ' ARG . 60.3 mt-10 -68.81 -33.05 73.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.42 . . . . 1.86 110.702 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.2 mmtt -74.3 -39.04 63.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.145 -0.479 . . . . 0.65 110.634 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.82 HG11 ' HB2' ' A' 1865 ' ' ALA . 40.1 t -56.75 -44.97 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.85 0.357 . . . . 0.27 110.637 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 17.0 m -60.64 -34.89 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.023 -0.535 . . . . 1.3 110.665 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.602 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 37.4 m80 -74.52 -35.55 63.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.11 111.34 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.632 HG22 ' HB3' ' A' 1919 ' ' ARG . 78.2 t -61.8 -51.13 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.642 -0.503 . . . . 0.35 109.642 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' 1861 ' ' ALA . 69.3 mt -58.9 -40.25 83.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.586 -0.734 . . . . 0.35 110.635 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.11 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.608 . . . . 0.4 111.491 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.19 90.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.46 110.614 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.688 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.3 mm? -70.45 -55.15 9.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.846 -0.615 . . . . 0.5 110.939 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -66.22 -18.27 65.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.97 -0.559 . . . . 1.7 112.14 -174.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -77.63 -20.42 53.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.683 -0.235 . . . . 0.93 110.824 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1971 ' ' GLY . . . . . 0.523 ' HA2' HG13 ' A' 1912 ' ' ILE . . . -73.71 -67.47 1.77 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.827 -0.701 . . . . 2.0 112.1 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.19 171.76 13.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.765 0.316 . . . . 5.01 110.309 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.243 0.761 0 CA-C-O 118.738 -0.649 . . . . 7.5 109.825 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 112.064 -0.415 . . . . 21.55 112.064 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 10.6 tp -154.03 135.83 5.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.903 0.383 . . . . 20.33 109.988 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1811 ' ' ASP . . . . . 0.418 ' OD2' ' HB2' ' A' 1813 ' ' PHE . 7.1 p-10 -133.0 146.32 60.79 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.831 -0.433 . . . . 19.2 109.831 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.62 13.95 0.69 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.15 2.566 . . . . 18.2 114.068 -171.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1813 ' ' PHE . . . . . 0.418 ' HB2' ' OD2' ' A' 1811 ' ' ASP . 65.5 m-85 -96.15 30.81 2.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.941 0.4 . . . . 20.33 111.216 -177.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1814 ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' 1817 ' ' ALA . 2.0 m -69.25 92.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.369 -0.604 . . . . 16.69 109.369 174.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -78.93 115.04 18.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.975 -0.557 . . . . 16.15 111.564 -171.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 48.98 60.61 3.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.445 -0.798 . . . . 14.41 111.625 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1817 ' ' ALA . . . . . 0.491 ' HB3' HG22 ' A' 1814 ' ' THR . . . -166.67 128.31 1.73 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.151 -0.931 . . . . 12.08 109.587 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -87.58 161.91 17.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.374 -0.375 . . . . 10.45 110.124 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 30.2 m -55.29 126.1 23.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.415 -0.357 . . . . 8.54 110.227 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -75.54 91.74 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.994 -0.548 . . . . 6.8 110.901 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -145.96 -76.42 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.661 . . . . 4.72 110.379 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 63.2 27.78 71.14 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.839 -0.696 . . . . 3.52 111.971 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 19.1 m -134.69 178.4 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.762 0.315 . . . . 2.13 110.454 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.827 HG13 ' HB2' ' A' 1827 ' ' MET . 71.5 t -100.85 103.45 14.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.331 0.586 . . . . 1.83 111.101 -176.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -119.42 -46.76 0.39 Allowed Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.532 -0.758 . . . . 2.1 111.702 175.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -78.42 -39.22 22.9 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.849 -0.691 . . . . 0.91 112.213 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.827 ' HB2' HG13 ' A' 1824 ' ' VAL . 1.6 mpt? -58.54 -52.08 67.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.106 0.479 . . . . 1.1 110.559 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1828 ' ' VAL . . . . . 0.415 ' HB ' HG12 ' A' 1824 ' ' VAL . 9.2 p -61.14 -32.3 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.594 -0.73 . . . . 0.74 111.325 -173.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.28 -45.98 68.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.935 0.398 . . . . 0.87 110.173 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 34.6 m -61.05 -39.51 90.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.97 110.832 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' 1827 ' ' MET . 72.8 mt -60.95 -49.65 83.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 121.054 0.454 . . . . 0.32 110.449 176.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 25.4 m -63.84 -39.01 93.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.61 111.162 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -65.82 -36.35 83.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.709 0.29 . . . . 2.49 110.551 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.604 ' O ' ' HG ' ' A' 1838 ' ' LEU . . . -62.04 -40.32 95.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.34 110.278 176.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.74 -54.12 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.49 110.568 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1836 ' ' ASN . . . . . 0.406 ' HB3' ' OE1' ' A' 1840 ' ' GLU . 36.6 m-80 -59.16 -54.26 48.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.54 -0.754 . . . . 0.72 111.907 -176.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -59.19 -30.61 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.146 0.424 . . . . 1.0 112.146 -172.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1838 ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' 1834 ' ' ALA . 92.7 mt -61.42 -49.74 75.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.088 0.471 . . . . 0.79 110.905 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.13 -30.69 18.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.903 -0.59 . . . . 1.79 111.791 -173.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1840 ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' 1836 ' ' ASN . 53.0 mt-10 -75.19 -20.27 59.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.665 0.269 . . . . 3.25 111.311 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 166.19 100.66 0.15 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.401 -0.904 . . . . 1.73 112.715 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.78 -7.37 21.0 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.647 2.232 . . . . 2.43 111.683 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 23.8 mmt 72.87 -55.08 0.69 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.148 0.979 . . . . 5.03 111.455 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1844 ' ' GLY . . . . . 0.889 ' HA2' HG11 ' A' 1905 ' ' VAL . . . 95.36 69.69 1.05 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.714 -0.755 . . . . 1.86 111.353 -178.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -129.26 64.53 71.44 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.885 0.374 . . . . 3.08 111.967 -176.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.476 ' HG3' HG13 ' A' 1905 ' ' VAL . 7.0 Cg_endo -83.89 122.16 2.96 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.372 2.048 . . . . 1.21 112.301 178.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -99.05 11.79 37.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.865 -0.607 . . . . 2.82 109.47 176.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -162.78 178.98 38.33 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.556 -1.018 . . . . 1.14 110.556 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 29.5 t -80.25 169.93 17.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.133 0.467 . . . . 1.64 110.226 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.54 ' HE1' HD11 ' A' 1916 ' ' ILE . 83.9 t80 -57.91 -35.58 71.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.011 0.434 . . . . 0.68 110.737 178.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.1 p -64.89 -36.63 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.79 110.939 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.77 -50.69 65.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.083 0.468 . . . . 1.71 110.635 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1853 ' ' TYR . . . . . 0.436 ' HD1' ' HB3' ' A' 1899 ' ' GLN . 57.7 m-85 -65.48 -33.88 76.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.863 -0.608 . . . . 1.07 111.041 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.61 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 48.9 tt0 -61.13 -53.17 60.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.423 -0.353 . . . . 0.99 110.507 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 6.9 p -60.1 -28.68 68.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.426 -0.352 . . . . 1.46 111.807 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 51.1 m -78.16 -51.35 10.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.748 0.308 . . . . 0.42 111.032 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.3 mtp -62.04 -39.82 93.64 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.284 0.476 . . . . 0.71 112.284 -174.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.682 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.6 m -62.26 -32.82 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.598 -0.441 . . . . 0.29 111.011 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -72.15 -49.45 35.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.926 0.394 . . . . 3.02 110.488 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.528 ' HB ' HD21 ' A' 1896 ' ' LEU . 19.3 m -65.05 -33.33 75.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 0.35 110.881 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.52 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.56 -45.04 94.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.478 -0.328 . . . . 0.25 110.507 176.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.682 ' HG3' ' O ' ' A' 1858 ' ' VAL . 62.1 mttm -58.81 -36.71 74.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.446 -0.343 . . . . 1.31 110.439 175.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.94 -49.51 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 0.41 111.264 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.695 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -67.43 -25.4 33.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.952 0.406 . . . . 0.28 110.202 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.71 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -67.75 -28.87 67.99 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.016 -0.538 . . . . 0.2 110.751 176.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' 1862 ' ' LYS . 58.4 t -73.27 -35.03 45.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.106 0.479 . . . . 0.73 109.718 175.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 20.6 m -66.89 -45.62 77.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.25 110.972 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.803 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.8 p -65.74 -35.69 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.713 0.292 . . . . 0.28 110.812 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -71.75 -26.96 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.91 109.817 178.321 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' 1869 ' ' GLN . 4.0 tp10 -73.09 -34.83 66.44 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.566 -0.531 . . . . 0.57 109.566 176.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.53 ' SD ' HD22 ' A' 1882 ' ' LEU . 3.7 mmt -55.77 -53.49 56.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.843 -0.617 . . . . 1.25 111.592 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 9.3 p -60.5 -39.42 81.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.255 0.55 . . . . 0.59 111.001 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 47.7 m -72.09 -43.03 65.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.615 -0.72 . . . . 0.44 111.358 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.799 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 10.0 mmpt? -73.83 -33.75 64.28 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 111.596 0.221 . . . . 1.4 111.596 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 23.6 t -60.57 -30.28 69.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.2 0.524 . . . . 1.11 110.076 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -81.55 -23.83 36.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 0.76 111.833 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1877 ' ' THR . . . . . 0.438 ' OG1' ' HA ' ' A' 1874 ' ' LYS . 7.8 p -109.4 -44.93 3.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.171 0.804 . . . . 1.32 113.171 -172.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1878 ' ' SER . . . . . 0.433 ' HA ' ' HD2' ' A' 1879 ' ' PRO . 6.7 t -152.57 101.77 2.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.761 -0.459 . . . . 1.17 109.761 -174.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' 1878 ' ' SER . 29.1 Cg_endo -63.13 -29.4 74.39 Favored 'Trans proline' 0 N--CA 1.467 -0.079 0 C-N-CA 122.929 2.419 . . . . 0.67 113.046 -175.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.04 -23.57 62.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.663 0.268 . . . . 2.24 111.275 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.751 ' O ' ' HG ' ' A' 1885 ' ' LEU . 35.6 mm-40 -71.96 -12.62 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 1.89 110.72 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.53 HD22 ' SD ' ' A' 1871 ' ' MET . 84.8 mt -72.3 -19.7 61.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.4 -0.363 . . . . 0.34 110.729 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1883 ' ' GLY . . . . . 0.403 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -66.77 -55.59 16.55 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.831 -0.699 . . . . 0.38 112.836 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' 1883 ' ' GLY . 10.2 Cg_endo -58.13 -37.59 94.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.276 1.984 . . . . 0.58 112.303 174.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' 1881 ' ' GLU . 25.1 mt -67.17 -40.95 86.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.781 0.324 . . . . 0.37 110.496 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1886 ' ' ALA . . . . . 0.596 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.66 -30.2 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.365 0.602 . . . . 0.36 110.196 177.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -73.54 -52.37 13.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.293 -0.867 . . . . 1.43 110.751 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.14 -45.12 93.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.05 -0.523 . . . . 1.07 112.109 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.15 -27.57 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.226 0.536 . . . . 0.25 110.383 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1890 ' ' THR . . . . . 0.545 ' OG1' ' HB3' ' A' 1827 ' ' MET . 49.2 m -81.07 -46.55 14.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.414 -0.812 . . . . 0.28 111.417 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 78.1 p -66.29 -51.09 60.88 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.929 0.395 . . . . 1.17 111.058 -172.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.502 ' HA ' ' HB3' ' A' 1895 ' ' ARG . 2.5 m-20 -66.34 -25.47 66.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.914 -0.585 . . . . 0.8 111.778 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 42.1 t80 -68.46 -43.51 76.85 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.659 -0.416 . . . . 0.31 110.254 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -70.3 -29.43 70.22 Favored Glycine 0 CA--C 1.504 -0.639 0 N-CA-C 109.771 -1.332 . . . . 0.31 109.771 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.502 ' HB3' ' HA ' ' A' 1892 ' ' ASP . 39.4 ttt180 -62.36 -49.11 76.84 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 113.967 -1.116 . . . . 3.04 110.126 171.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.528 HD21 ' HB ' ' A' 1860 ' ' THR . 10.5 mt -57.96 -47.21 83.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.44 -0.345 . . . . 0.86 111.03 176.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -58.06 -25.71 61.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.753 -0.658 . . . . 0.49 111.795 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 10.1 t -66.59 -45.31 79.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.628 -0.26 . . . . 1.38 110.433 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.499 ' O ' ' HD2' ' A' 1902 ' ' PRO . 18.4 mp0 -77.6 -24.59 49.61 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.452 0.168 . . . . 1.56 111.452 178.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.96 79.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.693 0.283 . . . . 0.34 111.532 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.889 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 7.9 mtpm? -60.52 -58.84 16.39 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.339 -0.391 . . . . 2.27 111.486 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.889 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 22.6 Cg_exo -65.87 -32.13 46.25 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.202 1.934 . . . . 0.6 112.641 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.44 93.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.368 . . . . 0.39 110.952 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -67.52 -43.84 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.46 111.492 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.889 HG11 ' HA2' ' A' 1844 ' ' GLY . 11.1 p -76.42 -31.54 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 116.303 -0.408 . . . . 1.26 111.561 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -80.26 -8.56 59.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.009 0.433 . . . . 0.64 110.57 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.1 143.37 52.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.7 -0.682 . . . . 0.85 110.422 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.11 -52.22 13.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.075 -0.512 . . . . 2.67 110.779 -177.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.575 ' HB2' HG12 ' A' 1912 ' ' ILE . 2.8 m-20 -86.31 138.28 31.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.154 -0.475 . . . . 2.18 110.356 178.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.59 -40.8 97.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.087 -0.506 . . . . 2.24 110.24 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1911 ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' 1911 ' ' GLU . 1.9 mp0 -63.17 -33.64 75.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.908 -0.587 . . . . 2.49 110.864 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.575 HG12 ' HB2' ' A' 1909 ' ' ASN . 34.3 mm -68.13 -47.73 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.41 . . . . 0.89 110.286 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.69 -41.36 99.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.619 -0.8 . . . . 0.51 111.525 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1914 ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' 1917 ' ' LYS . . . -61.79 -37.63 85.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.121 0.486 . . . . 0.46 110.77 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.8 t-160 -66.04 -40.36 90.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.726 -0.67 . . . . 1.62 110.534 -177.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.54 HD11 ' HE1' ' A' 1850 ' ' PHE . 94.0 mt -63.54 -54.9 26.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.4 110.975 178.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.694 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.1 ptmt -61.66 -34.43 75.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 1.36 110.889 -175.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -71.86 -29.63 64.58 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.807 0.299 . . . . 1.91 111.807 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.808 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 28.7 mmt180 -76.61 -31.82 57.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.882 0.373 . . . . 2.55 110.644 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1916 ' ' ILE . 21.3 t -71.54 -25.55 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.504 -0.554 . . . . 0.35 109.504 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.694 ' HG2' ' O ' ' A' 1917 ' ' LYS . 12.0 mm100 -63.34 -38.59 91.74 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.212 -0.662 . . . . 1.22 109.212 172.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.902 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 4.6 mt-10 -60.16 -51.62 68.8 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.518 -0.765 . . . . 1.49 109.757 176.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.17 -38.38 70.82 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.559 -0.746 . . . . 0.67 110.299 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1924 ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -56.33 -52.18 51.43 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.842 -0.694 . . . . 0.64 112.168 177.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -71.5 -38.45 71.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.684 0.278 . . . . 0.69 110.948 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.45 -56.4 10.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.082 -0.58 . . . . 0.25 112.642 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 73.5 m -60.33 -37.96 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 1.22 110.438 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1928 ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' 1924 ' ' GLY . 15.1 t -59.81 -52.21 66.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.196 -0.457 . . . . 1.03 110.261 176.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.25 93.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.28 110.818 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.582 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.21 -53.07 62.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.76 -0.654 . . . . 0.28 110.715 -178.716 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' 1886 ' ' ALA . 30.9 m -67.32 -33.47 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.953 -0.299 . . . . 0.26 111.083 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.1 m -61.7 -46.67 88.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.028 0.442 . . . . 0.8 110.156 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.65 -36.59 84.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.826 -0.625 . . . . 1.27 111.001 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1934 ' ' ALA . . . . . 0.62 ' O ' ' HG3' ' A' 1938 ' ' GLN . . . -59.74 -47.15 86.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.56 0.219 . . . . 0.3 110.822 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.21 -43.8 96.9 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.628 -0.796 . . . . 0.4 111.976 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.39 74.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.5 111.084 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' 1937 ' ' LEU . 2.7 tm? -73.78 -27.75 61.3 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.697 -0.483 . . . . 0.41 109.697 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1938 ' ' GLN . . . . . 0.62 ' HG3' ' O ' ' A' 1934 ' ' ALA . 46.1 mt-30 -77.39 -26.5 51.83 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.212 0.53 . . . . 1.06 110.389 176.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 50.6 t -73.82 -35.98 64.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.439 -0.8 . . . . 1.43 109.475 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 19.7 m -133.55 72.23 74.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.8 110.011 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.1 -11.43 32.21 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.73 2.287 . . . . 0.69 112.378 -174.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 41.7 t -97.4 -5.38 36.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.31 -0.859 . . . . 1.54 110.963 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.44 114.51 22.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 1.16 110.652 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 52.0 t -67.74 -32.18 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.772 -0.649 . . . . 1.33 110.613 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.437 ' O ' ' HG2' ' A' 1949 ' ' GLU . 66.1 t80 -59.02 -57.1 14.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 1.91 110.987 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.443 ' HB ' HD23 ' A' 1937 ' ' LEU . 19.4 m -61.66 -37.97 86.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.823 0.344 . . . . 0.6 111.065 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' 1951 ' ' ILE . 39.5 ttpt -63.6 -44.85 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 1.2 110.053 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' 1948 ' ' LYS . 17.4 ttpp -59.5 -45.21 92.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.99 -0.55 . . . . 2.67 110.29 175.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' 1945 ' ' TYR . 46.3 mm-40 -54.81 -45.71 74.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.746 -0.661 . . . . 1.53 110.583 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.501 ' HG ' HD23 ' A' 1930 ' ' LEU . 9.5 tt -66.48 -40.68 89.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.297 -0.41 . . . . 0.31 110.86 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' 1947 ' ' LYS . 81.4 mt -57.24 -42.06 79.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.175 0.512 . . . . 0.35 110.115 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.634 ' O ' ' HG3' ' A' 1956 ' ' ARG . 82.8 mt-10 -72.73 -35.92 67.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.736 . . . . 2.11 110.639 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.417 ' O ' HG23 ' A' 1957 ' ' VAL . 90.6 m -63.89 -36.7 84.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.88 110.579 176.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.21 76.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.25 111.287 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' 1952 ' ' GLU . 39.5 ptt180 -65.41 -27.17 68.35 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.706 -0.398 . . . . 3.21 110.546 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.634 ' HG3' ' O ' ' A' 1952 ' ' GLU . 57.7 mtt180 -60.42 -56.8 17.03 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.983 0.42 . . . . 3.16 109.912 174.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.803 ' HB ' HG21 ' A' 1868 ' ' VAL . 38.0 t -60.46 -39.2 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.3 110.862 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 18.4 m -57.02 -35.43 69.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 1.13 111.169 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' 1955 ' ' ARG . 58.6 mt-10 -76.17 -36.7 58.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.459 . . . . 1.86 110.6 177.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.902 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.3 mmtt -65.55 -36.81 84.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.756 -0.656 . . . . 0.65 110.574 -177.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' 1865 ' ' ALA . 60.5 t -56.57 -50.31 73.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.094 0.474 . . . . 0.27 110.445 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 9.0 t -61.34 -35.6 77.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.44 -0.8 . . . . 1.3 110.223 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.808 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 19.1 m170 -62.79 -46.96 85.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 1.11 111.077 177.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' 1960 ' ' LYS . 61.0 t -61.82 -48.64 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.35 110.422 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' 1861 ' ' ALA . 91.3 mt -54.79 -49.66 70.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.35 110.736 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.36 75.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 0.4 111.393 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.23 90.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.799 0.333 . . . . 0.46 110.878 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.61 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -68.34 -46.61 69.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.49 . . . . 0.5 110.72 177.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -68.3 -20.76 64.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 1.7 111.277 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -69.56 -29.87 67.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.185 0.517 . . . . 0.93 110.606 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -83.83 0.17 89.59 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.844 -0.693 . . . . 2.0 112.128 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -144.55 85.1 1.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.255 0.55 . . . . 5.01 110.319 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.374 -0.822 . . . . 7.5 110.517 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.744 -0.542 . . . . 21.55 111.744 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 13.2 tt -139.87 131.52 33.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.982 0.42 . . . . 20.33 110.421 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -97.26 106.89 35.06 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.783 -0.644 . . . . 19.2 109.844 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -66.53 163.02 34.21 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.943 2.429 . . . . 18.2 112.504 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -80.07 -172.17 3.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.123 -0.489 . . . . 20.33 110.212 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 6.4 t -56.75 115.51 2.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.452 0.644 . . . . 16.69 110.988 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 3.1 p30 -106.02 107.11 17.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.638 0.733 . . . . 16.15 109.912 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.0 -20.59 61.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.07 -0.968 . . . . 14.41 111.577 -174.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -142.92 115.01 8.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.003 0.43 . . . . 12.08 111.386 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -98.78 -31.37 11.91 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.566 -0.902 . . . . 10.45 108.566 171.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 25.9 t -117.9 158.32 25.08 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.84 -1.073 . . . . 8.54 108.19 172.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 62.57 20.58 12.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.301 0.572 . . . . 6.8 110.658 -175.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -97.89 162.54 13.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.583 -0.735 . . . . 4.72 110.324 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -82.36 37.96 2.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.006 -0.616 . . . . 3.52 112.713 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 19.0 m -107.71 -40.69 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.71 0.29 . . . . 2.13 110.663 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.459 ' HA ' ' HE2' ' A' 1827 ' ' MET . 57.1 t -148.24 -38.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.988 -0.551 . . . . 1.83 110.509 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -51.79 126.07 28.26 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 121.139 -0.553 . . . . 2.1 112.066 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 114.29 -62.26 0.33 Allowed Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.847 -0.692 . . . . 0.91 111.431 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.459 ' HE2' ' HA ' ' A' 1824 ' ' VAL . 24.9 ptt? -74.36 -24.95 59.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 1.1 110.441 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.2 p -64.02 -27.13 42.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.922 0.391 . . . . 0.74 110.703 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.63 -36.25 83.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 0.87 110.346 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 72.5 m -59.8 -29.47 68.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.84 -0.618 . . . . 0.97 110.804 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.451 HG23 ' CE2' ' A' 1893 ' ' TYR . 68.1 mt -70.68 -47.85 61.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.212 -0.449 . . . . 0.32 110.358 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 17.2 m -68.1 -40.66 82.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.61 111.051 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -65.89 -31.78 72.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.658 0.266 . . . . 2.49 110.648 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.501 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -63.53 -27.95 69.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.064 0.459 . . . . 0.34 110.728 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.67 -54.6 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.822 -0.627 . . . . 0.49 109.959 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -65.6 -36.61 84.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.41 -0.814 . . . . 0.72 112.091 -174.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1837 ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' 1834 ' ' ALA . 26.1 pt20 -59.25 -33.96 71.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.633 0.254 . . . . 1.0 111.433 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.11 -30.77 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.48 -0.327 . . . . 0.79 111.235 -176.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.14 -35.43 18.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.299 -0.41 . . . . 1.79 110.547 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -73.25 -65.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.168 -0.469 . . . . 3.25 111.284 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -129.26 101.29 0.53 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.517 -0.849 . . . . 1.73 112.67 -175.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.95 -54.34 0.55 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.781 2.321 . . . . 2.43 112.521 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 54.9 ttm 63.54 -80.82 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.076 0.55 . . . . 5.03 111.161 -176.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1844 ' ' GLY . . . . . 0.516 ' HA3' HG21 ' A' 1905 ' ' VAL . . . 77.55 -98.54 1.41 Allowed Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 121.1 -0.571 . . . . 1.86 112.555 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 34.1 t70 47.35 68.28 3.66 Favored Pre-proline 0 N--CA 1.466 0.326 0 CA-C-O 121.159 0.504 . . . . 3.08 110.623 -174.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.424 ' HG3' ' HB2' ' A' 1906 ' ' ALA . 61.3 Cg_endo -72.93 131.72 17.32 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.694 2.263 . . . . 1.21 113.013 -173.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -78.97 -29.86 44.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.941 -0.572 . . . . 2.82 110.285 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -109.39 -179.33 21.18 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.712 -0.756 . . . . 1.14 112.22 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1849 ' ' SER . . . . . 0.485 ' HB2' HG12 ' A' 1851 ' ' VAL . 5.1 m -84.26 173.31 11.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.014 -0.365 . . . . 1.64 110.014 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.5 ' HE1' HD11 ' A' 1916 ' ' ILE . 54.5 t80 -59.07 -40.71 86.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 0.68 110.346 176.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1851 ' ' VAL . . . . . 0.485 HG12 ' HB2' ' A' 1849 ' ' SER . 7.3 p -59.28 -33.12 49.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.181 -0.463 . . . . 0.79 111.509 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.73 -50.53 35.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.038 0.447 . . . . 1.71 110.551 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.4 -34.35 77.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 1.07 110.347 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.702 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.8 tt0 -55.54 -57.23 12.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.99 110.243 173.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 27.4 m -57.57 -37.14 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 1.46 111.091 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 29.8 m -72.79 -52.17 16.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.142 -0.481 . . . . 0.42 111.262 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.3 mtp -64.61 -38.44 91.01 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.32 0.489 . . . . 0.71 112.32 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.663 ' O ' ' HG2' ' A' 1862 ' ' LYS . 31.0 m -62.65 -35.71 71.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.183 -0.607 . . . . 0.29 110.733 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -71.42 -38.88 71.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.984 0.421 . . . . 3.02 110.733 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.661 ' HB ' HD21 ' A' 1896 ' ' LEU . 6.1 m -69.13 -36.09 77.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.18 -0.463 . . . . 0.35 110.495 179.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.602 ' HB3' HD21 ' A' 1965 ' ' LEU . . . -63.64 -36.1 82.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.25 110.976 177.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' 1858 ' ' VAL . 68.9 mmtt -58.99 -40.8 85.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.235 0.54 . . . . 1.31 110.148 176.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.81 81.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.349 -0.842 . . . . 0.41 111.616 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.755 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -79.11 -31.42 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.304 -0.558 . . . . 0.28 110.014 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.887 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.77 -41.4 71.75 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.47 -0.332 . . . . 0.2 111.434 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.403 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.2 p -66.17 -28.83 44.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 0.73 109.953 176.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 87.4 m -73.39 -46.86 46.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.25 111.174 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.814 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.3 p -67.96 -31.43 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.28 110.785 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.59 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -74.52 -26.99 60.34 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.358 -0.608 . . . . 0.91 109.358 176.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.496 ' HG3' ' CG ' ' A' 1874 ' ' LYS . 6.3 tp10 -74.6 -28.34 60.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.038 -0.528 . . . . 0.57 110.08 178.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.542 ' SD ' HD22 ' A' 1882 ' ' LEU . 8.3 mmt -55.62 -45.39 77.56 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.873 -0.603 . . . . 1.25 111.523 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.596 HG23 HG23 ' A' 1951 ' ' ILE . 9.7 p -65.04 -32.03 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.459 0.647 . . . . 0.59 110.778 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1873 ' ' THR . . . . . 0.51 ' O ' HG22 ' A' 1877 ' ' THR . 88.4 m -80.17 -54.99 5.24 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.351 -0.84 . . . . 0.44 110.661 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.812 ' HG3' HD11 ' A' 1885 ' ' LEU . 8.9 mmpt? -59.33 -40.47 86.43 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.167 -0.47 . . . . 1.4 111.493 -177.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 9.6 t -59.56 -24.9 64.1 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.122 0.487 . . . . 1.11 110.875 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -82.03 -43.16 18.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.605 . . . . 0.76 112.141 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1877 ' ' THR . . . . . 0.51 HG22 ' O ' ' A' 1873 ' ' THR . 1.5 t -108.81 -25.1 10.97 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.395 0.887 . . . . 1.32 113.395 -169.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 22.7 m -158.06 76.44 3.67 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.109 -0.33 . . . . 1.17 110.109 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.14 -17.66 59.42 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.73 2.287 . . . . 0.67 112.886 -175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.17 -17.91 61.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.832 0.349 . . . . 2.24 111.178 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.582 ' O ' ' HG ' ' A' 1885 ' ' LEU . 22.6 mt-10 -81.77 -9.77 59.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 1.89 110.922 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.542 HD22 ' SD ' ' A' 1871 ' ' MET . 95.0 mt -67.27 -34.04 76.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.34 111.197 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -59.63 -54.45 37.61 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 121.172 -0.537 . . . . 0.38 112.841 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.87 -39.14 78.99 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.863 2.376 . . . . 0.58 112.489 172.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.812 HD11 ' HG3' ' A' 1874 ' ' LYS . 77.9 mt -68.74 -45.24 71.99 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.467 -0.333 . . . . 0.37 110.589 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.07 -31.14 64.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.115 -0.493 . . . . 0.36 109.777 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -72.98 -49.92 26.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.713 -0.676 . . . . 1.43 110.758 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.57 -42.2 92.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.506 -0.316 . . . . 1.07 110.704 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.501 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.9 tp -55.21 -44.4 75.35 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.697 -0.483 . . . . 0.25 109.697 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 43.2 m -62.49 -48.8 77.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.406 -0.816 . . . . 0.28 111.013 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 8.5 t -64.31 -51.68 62.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.541 -0.754 . . . . 1.17 111.508 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.453 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 5.0 m-20 -67.2 -34.97 78.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.596 -0.274 . . . . 0.8 111.374 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1893 ' ' TYR . . . . . 0.451 ' CE2' HG23 ' A' 1831 ' ' ILE . 67.3 t80 -63.2 -44.12 96.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.31 110.429 176.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.22 -35.48 78.14 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.983 -0.627 . . . . 0.31 111.854 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.453 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 91.0 mtt180 -66.83 -49.82 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.0 -0.37 . . . . 3.04 110.0 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.661 HD21 ' HB ' ' A' 1860 ' ' THR . 20.0 mt -57.07 -44.14 82.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.114 -0.494 . . . . 0.86 111.568 177.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1897 ' ' ALA . . . . . 0.501 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -60.43 -31.11 70.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.995 -0.548 . . . . 0.49 111.522 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 23.2 t -74.87 -47.89 27.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.89 0.376 . . . . 1.38 110.152 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.442 ' O ' ' HD2' ' A' 1902 ' ' PRO . 71.0 mt-30 -66.31 -24.93 66.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 1.56 111.528 -176.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.37 -29.71 70.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.34 111.894 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.843 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 99.3 mttt -65.06 -60.05 8.79 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.794 -0.184 . . . . 2.27 111.312 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.843 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 25.5 Cg_exo -63.92 -31.57 66.95 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.858 1.705 . . . . 0.6 111.945 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.55 96.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.771 0.319 . . . . 0.39 110.8 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1904 ' ' ALA . . . . . 0.443 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -63.63 -41.17 98.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.46 111.001 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.516 HG21 ' HA3' ' A' 1844 ' ' GLY . 45.4 t -75.52 -34.69 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.05 -0.523 . . . . 1.26 111.07 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1906 ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -81.22 -12.07 59.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 0.64 111.775 -177.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1907 ' ' ALA . . . . . 0.456 ' HA ' ' CD1' ' A' 1850 ' ' PHE . . . -57.46 141.76 46.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 0.85 111.42 -177.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -64.26 -25.31 68.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 2.67 110.738 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.505 ' HB3' HG12 ' A' 1912 ' ' ILE . 40.8 t30 -131.45 134.65 46.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.638 -0.71 . . . . 2.18 109.229 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.4 -44.8 95.33 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.669 0.271 . . . . 2.24 111.479 -174.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.85 -26.75 67.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 2.49 111.114 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.535 HG13 ' HA2' ' A' 1971 ' ' GLY . 43.0 mm -69.49 -40.5 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.754 -0.462 . . . . 0.89 109.754 175.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -62.2 -44.09 98.2 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.83 -0.7 . . . . 0.51 111.458 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.99 93.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.273 0.559 . . . . 0.46 110.141 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.3 t-160 -61.72 -41.03 97.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.321 -0.854 . . . . 1.62 110.346 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.5 HD11 ' HE1' ' A' 1850 ' ' PHE . 85.0 mt -63.78 -54.97 25.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.4 111.3 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' 1921 ' ' GLN . 12.2 ptmm? -64.44 -31.44 72.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 1.36 111.14 -174.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -73.52 -26.94 61.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.472 -0.331 . . . . 1.91 110.518 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.729 ' HB3' HG22 ' A' 1964 ' ' VAL . 28.4 mmt180 -74.97 -30.24 61.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.798 0.332 . . . . 2.55 110.86 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.403 HG11 ' HA ' ' A' 1897 ' ' ALA . 42.4 t -69.18 -30.56 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.514 -0.55 . . . . 0.35 109.514 174.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' 1917 ' ' LYS . 9.1 mm100 -63.61 -41.18 98.33 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.373 -0.603 . . . . 1.22 109.373 174.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.976 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 38.2 mm-40 -55.11 -49.29 72.1 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.045 -0.98 . . . . 1.49 110.156 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' 1923 ' ' LEU . 13.1 mt -62.94 -42.43 99.81 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.349 -0.841 . . . . 0.67 111.229 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.84 -51.6 38.71 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.032 -0.604 . . . . 0.64 112.621 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -60.43 -37.31 80.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.779 0.323 . . . . 0.69 111.213 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1926 ' ' GLY . . . . . 0.603 ' HA3' HG22 ' A' 1957 ' ' VAL . . . -76.49 -52.42 6.04 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.69 -0.767 . . . . 0.25 112.476 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 85.8 m -58.0 -43.98 86.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 122.302 0.241 . . . . 1.22 111.62 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 16.4 m -56.1 -46.15 79.18 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.111 0.481 . . . . 1.03 110.786 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.29 72.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 0.28 111.188 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.663 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.56 -51.29 69.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.928 -0.578 . . . . 0.28 111.133 -176.617 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 28.6 m -65.76 -32.35 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.26 110.716 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 68.3 m -69.97 -39.5 75.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 0.8 110.793 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.503 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 34.7 tptt -70.65 -39.34 73.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.291 -0.413 . . . . 1.27 110.489 -178.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.44 89.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.3 111.466 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.32 -37.43 91.91 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.797 -0.716 . . . . 0.4 112.103 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -80.47 -27.35 37.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.856 0.36 . . . . 0.5 110.869 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.475 HD12 HD12 ' A' 1882 ' ' LEU . 2.8 tm? -73.87 -36.05 64.79 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 116.256 -0.429 . . . . 0.41 110.065 -177.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.72 -26.08 67.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.143 0.497 . . . . 1.06 110.888 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 65.5 m -77.39 -18.89 56.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.79 -0.641 . . . . 1.43 110.458 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 7.1 m -141.51 59.76 10.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.8 109.686 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.77 7.48 2.75 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.701 2.267 . . . . 0.69 113.973 -169.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 25.0 t -119.99 -0.65 10.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.227 0.536 . . . . 1.54 109.874 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -78.93 140.12 38.13 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.923 -0.58 . . . . 1.16 110.682 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 16.9 m -85.2 -41.7 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.208 -0.451 . . . . 1.33 112.024 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.64 -48.22 75.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 1.91 111.197 -175.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 14.0 m -65.07 -40.28 94.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.073 -0.512 . . . . 0.6 110.881 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -67.02 -41.84 85.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 1.2 110.42 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -51.8 -48.4 63.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.671 -0.695 . . . . 2.67 111.006 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.503 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 31.4 mt-10 -65.54 -35.6 81.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.925 -0.58 . . . . 1.53 111.638 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.0 tt -68.92 -36.87 78.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.908 -0.404 . . . . 0.31 109.908 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.596 HG23 HG23 ' A' 1872 ' ' VAL . 96.7 mt -60.9 -43.41 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.06 0.457 . . . . 0.35 109.807 173.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.538 ' O ' ' HG3' ' A' 1956 ' ' ARG . 9.3 mm-40 -60.81 -50.47 73.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.69 -0.686 . . . . 2.11 110.378 176.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.576 ' O ' HG23 ' A' 1957 ' ' VAL . 33.8 t -59.88 -41.23 91.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.07 -0.514 . . . . 0.88 110.744 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.37 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.25 111.568 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' 1959 ' ' GLU . 35.7 ptt85 -69.74 -24.6 63.56 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.661 -0.416 . . . . 3.21 110.799 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' 1952 ' ' GLU . 85.6 mtt180 -75.54 -41.67 54.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.526 -0.306 . . . . 3.16 111.165 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.814 ' HB ' HG21 ' A' 1868 ' ' VAL . 88.0 t -64.91 -40.48 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.931 0.396 . . . . 0.3 110.536 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 50.8 m -56.92 -31.4 64.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.555 . . . . 1.13 111.863 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' 1955 ' ' ARG . 48.1 mt-10 -73.85 -24.95 59.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.309 0.576 . . . . 1.86 110.517 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.976 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 75.1 mmtt -76.32 -41.08 49.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 0.65 110.012 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.887 HG11 ' HB2' ' A' 1865 ' ' ALA . 12.1 t -57.86 -45.4 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.27 111.186 -177.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 22.4 p -62.77 -31.34 72.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 1.3 110.661 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.491 ' HB3' ' NE ' ' A' 1919 ' ' ARG . 60.1 m170 -76.0 -39.29 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 1.11 110.51 176.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.729 HG22 ' HB3' ' A' 1919 ' ' ARG . 64.9 t -59.77 -51.1 76.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.926 -0.398 . . . . 0.35 109.926 176.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.602 HD21 ' HB3' ' A' 1861 ' ' ALA . 84.1 mt -57.39 -45.45 84.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.704 -0.68 . . . . 0.35 110.967 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.86 70.2 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.843 -0.617 . . . . 0.4 112.028 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.89 -28.31 69.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.46 111.041 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.702 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.5 mm? -72.81 -48.88 34.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.5 111.564 -179.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -73.34 -18.95 61.13 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.851 -0.34 . . . . 1.7 110.705 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -66.58 -23.36 66.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.45 . . . . 0.93 110.402 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1971 ' ' GLY . . . . . 0.535 ' HA2' HG13 ' A' 1912 ' ' ILE . . . -69.47 -22.97 76.68 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.944 -0.571 . . . . 2.0 112.455 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 89.3 m-20 62.38 84.84 0.13 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.074 0.464 . . . . 5.01 111.113 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1973 ' ' ARG . . . . . 0.521 ' NE ' ' HA ' ' A' 1973 ' ' ARG . 4.7 tpm_? . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.579 -0.724 . . . . 7.5 109.919 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 111.952 -0.459 . . . . 21.55 111.952 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1810 ' ' ILE . . . . . 0.507 ' O ' ' HD3' ' A' 1812 ' ' PRO . 51.4 mm -75.48 -25.5 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.252 0.549 . . . . 20.33 109.771 177.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -104.5 96.3 9.97 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 19.2 109.322 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1812 ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' 1810 ' ' ILE . 23.1 Cg_exo -64.11 -68.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.882 2.388 . . . . 18.2 112.578 -175.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -142.39 87.9 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.336 -0.393 . . . . 20.33 110.358 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 11.4 t -69.25 114.25 7.34 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.169 -0.678 . . . . 16.69 109.169 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -88.39 99.43 12.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.977 -0.556 . . . . 16.15 110.771 -175.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -96.63 102.5 14.29 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.352 -0.61 . . . . 14.41 109.352 174.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -102.71 173.2 6.44 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.833 -0.621 . . . . 12.08 110.679 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -87.7 106.02 17.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.597 -0.52 . . . . 10.45 109.597 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 23.4 t -163.03 119.43 1.83 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 8.54 110.421 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -81.52 -4.89 57.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 6.8 110.803 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -81.24 105.67 12.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.138 -0.483 . . . . 4.72 110.666 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -88.87 11.38 69.19 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.014 -0.612 . . . . 3.52 112.043 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1823 ' ' VAL . . . . . 0.585 HG13 ' H ' ' A' 1824 ' ' VAL . 2.5 p -114.31 -105.62 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 119.067 -0.492 . . . . 2.13 110.081 177.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.585 ' H ' HG13 ' A' 1823 ' ' VAL . 82.1 t -148.33 -79.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 118.893 0.769 . . . . 1.83 110.207 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1825 ' ' GLY . . . . . 0.669 ' O ' HG12 ' A' 1828 ' ' VAL . . . 54.67 -106.34 0.5 Allowed Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.178 -0.464 . . . . 2.1 113.228 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -59.1 -24.39 58.48 Favored Glycine 0 N--CA 1.454 -0.148 0 C-N-CA 121.26 -0.495 . . . . 0.91 112.962 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.512 ' SD ' ' HA ' ' A' 1824 ' ' VAL . 28.0 mtp -63.68 -39.59 94.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.779 -0.21 . . . . 1.1 111.543 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1828 ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' 1825 ' ' GLY . 8.2 p -68.76 -31.36 50.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.146 0.498 . . . . 0.74 109.741 -178.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.41 -42.13 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.679 -0.691 . . . . 0.87 110.119 174.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 23.3 m -63.53 -36.37 83.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.97 110.996 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.452 HG23 ' CE2' ' A' 1893 ' ' TYR . 66.9 mt -66.66 -47.4 83.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.98 0.419 . . . . 0.32 110.342 177.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 37.2 m -62.56 -37.04 84.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.61 110.754 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.29 -41.19 98.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 2.49 110.014 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' 1837 ' ' GLN . . . -61.11 -35.68 77.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.561 . . . . 0.34 110.997 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1835 ' ' ILE . . . . . 0.427 HD11 ' O ' ' A' 1924 ' ' GLY . 46.7 mt -62.57 -48.63 87.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.296 -0.411 . . . . 0.49 110.002 175.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -67.06 -38.15 85.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.493 -0.776 . . . . 0.72 112.142 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1837 ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.3 pt20 -65.65 -33.36 75.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 1.0 110.542 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1838 ' ' LEU . . . . . 0.548 HD23 ' HG2' ' A' 1901 ' ' LYS . 84.2 mt -77.16 -40.58 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.79 110.481 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -70.89 -27.31 63.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.559 -0.746 . . . . 1.79 110.523 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.77 -56.68 17.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.706 -0.679 . . . . 3.25 110.582 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -177.16 162.4 30.51 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.943 -0.646 . . . . 1.73 111.729 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1842 ' ' PRO . . . . . 0.516 ' O ' ' HB3' ' A' 1901 ' ' LYS . 59.3 Cg_endo -77.39 -88.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.266 1.978 . . . . 2.43 112.44 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1843 ' ' MET . . . . . 0.534 ' HB3' ' HA ' ' A' 1902 ' ' PRO . 13.2 tpt 173.17 163.65 0.14 Allowed 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.697 -0.853 . . . . 5.03 108.697 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -133.79 137.78 9.59 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.163 -0.775 . . . . 1.86 111.163 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 34.4 t70 59.23 75.62 0.5 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.513 0.673 . . . . 3.08 110.525 -173.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.7 173.95 13.5 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.787 2.324 . . . . 1.21 111.893 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -75.42 -71.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.794 -0.447 . . . . 2.82 109.794 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -94.61 -172.21 37.87 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.807 -0.711 . . . . 1.14 111.651 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 37.7 m -96.55 -170.05 2.0 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.068 -0.345 . . . . 1.64 110.068 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.572 ' HE1' HD11 ' A' 1916 ' ' ILE . 86.8 t80 -58.2 -42.59 86.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.91 -0.132 . . . . 0.68 111.255 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 8.9 p -61.85 -33.8 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.79 111.4 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.35 -48.4 70.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.128 0.49 . . . . 1.71 110.604 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -73.16 -34.48 66.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 1.07 110.669 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.666 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 57.0 tt0 -56.61 -57.09 13.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.469 -0.332 . . . . 0.99 110.922 177.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 15.8 p -60.55 -31.0 70.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 1.46 111.23 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 88.5 m -73.12 -51.68 17.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.38 -0.373 . . . . 0.42 110.866 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 87.9 mtp -65.23 -42.42 93.4 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.327 0.491 . . . . 0.71 112.327 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.719 ' O ' ' HG3' ' A' 1862 ' ' LYS . 18.9 m -62.93 -31.37 52.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.306 0 C-N-CA 120.123 -0.631 . . . . 0.29 110.748 -177.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -73.18 -43.64 61.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 3.02 110.626 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 13.4 m -67.23 -33.11 74.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.35 110.684 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.523 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.68 -42.87 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.25 110.89 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.8 mttt -62.65 -32.34 73.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.138 0.494 . . . . 1.31 110.329 176.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.64 84.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.763 -0.653 . . . . 0.41 111.25 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.76 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.58 -29.15 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.1 -0.64 . . . . 0.28 109.838 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.848 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.99 -43.39 74.97 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.336 -0.393 . . . . 0.2 111.266 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.46 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 11.0 p -65.85 -25.38 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.226 0.536 . . . . 0.73 110.123 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 95.8 m -76.85 -47.67 20.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.013 -0.539 . . . . 0.25 111.147 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.716 HG23 HD11 ' A' 1930 ' ' LEU . 3.7 p -66.78 -34.61 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.869 0.366 . . . . 0.28 110.676 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.572 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -70.75 -26.0 63.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.644 -0.502 . . . . 0.91 109.644 176.532 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' 1874 ' ' LYS . 8.6 tp10 -75.77 -31.21 59.41 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.695 -0.483 . . . . 0.57 109.695 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.542 ' SD ' HD22 ' A' 1882 ' ' LEU . 8.5 mmt -55.06 -47.77 74.37 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.891 -0.595 . . . . 1.25 111.592 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.782 HG23 HG23 ' A' 1951 ' ' ILE . 10.0 p -64.43 -31.71 54.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.376 0.608 . . . . 0.59 110.709 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 96.4 m -79.12 -51.54 9.4 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.494 -0.775 . . . . 0.44 110.923 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.725 ' HG3' HD11 ' A' 1885 ' ' LEU . 8.5 mmpt? -63.63 -29.79 70.99 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.145 -0.48 . . . . 1.4 111.783 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.518 ' HB3' ' HG3' ' A' 1947 ' ' LYS . 50.3 m -62.32 -26.59 68.52 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.948 -0.701 . . . . 1.11 110.587 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -82.48 -33.02 28.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.883 -0.598 . . . . 0.76 111.485 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 20.0 p -108.34 -45.36 3.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.171 0.804 . . . . 1.32 113.171 -172.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 69.0 m -146.68 81.32 9.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.593 0.235 . . . . 1.17 110.97 -169.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.47 -23.36 76.55 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.676 2.251 . . . . 0.67 112.948 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.72 -18.22 61.02 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.12 -0.232 . . . . 2.24 111.54 -177.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.607 ' O ' ' HG ' ' A' 1885 ' ' LEU . 37.4 mt-10 -81.39 -10.54 59.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.06 -0.256 . . . . 1.89 111.318 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.542 HD22 ' SD ' ' A' 1871 ' ' MET . 90.6 mt -64.62 -33.97 77.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.578 0.228 . . . . 0.34 111.005 -177.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.53 -54.81 31.24 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.965 -0.636 . . . . 0.38 112.912 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.44 ' HD2' ' C ' ' A' 1881 ' ' GLU . 54.8 Cg_exo -55.16 -34.57 88.22 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.625 2.217 . . . . 0.58 112.741 172.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.725 HD11 ' HG3' ' A' 1874 ' ' LYS . 69.6 mt -71.87 -43.96 64.57 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.03 -0.268 . . . . 0.37 110.393 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.95 71.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.6 -0.519 . . . . 0.36 109.6 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1887 ' ' ASN . . . . . 0.446 ' HA ' ' HE3' ' A' 1827 ' ' MET . 3.6 m-80 -60.3 -53.77 53.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.149 -0.932 . . . . 1.43 111.328 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -67.56 -43.53 80.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.456 -0.338 . . . . 1.07 110.944 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.473 HD12 ' HB ' ' A' 1864 ' ' ILE . 52.1 tp -54.51 -40.5 68.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.009 0.433 . . . . 0.25 110.17 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 53.7 m -65.73 -47.14 76.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.637 -0.711 . . . . 0.28 111.053 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 12.8 t -68.98 -49.89 53.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.097 -0.502 . . . . 1.17 111.359 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -64.57 -32.32 73.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.8 110.834 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1893 ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 42.6 t80 -62.59 -44.54 96.06 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.711 -0.396 . . . . 0.31 110.031 173.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.11 -32.44 63.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.084 -0.579 . . . . 0.31 112.052 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.554 ' O ' ' HG2' ' A' 1899 ' ' GLN . 65.1 mtp180 -67.94 -46.14 72.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.968 -0.382 . . . . 3.04 109.968 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1896 ' ' LEU . . . . . . . . . . . . . 64.7 mt -57.67 -46.12 84.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.86 110.752 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -66.8 -26.21 66.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.031 -0.531 . . . . 0.49 111.051 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 24.5 t -72.5 -39.71 67.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.219 -0.446 . . . . 1.38 110.251 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' 1895 ' ' ARG . 47.6 mm-40 -77.44 -36.16 53.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 1.56 110.608 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -59.31 -33.29 70.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.832 0.678 . . . . 0.34 112.832 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.879 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 8.6 mtpm? -60.51 -60.24 11.26 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 121.055 -0.258 . . . . 2.27 111.087 -178.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.879 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 15.6 Cg_exo -69.75 -29.36 24.01 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.877 1.718 . . . . 0.6 112.289 176.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.51 -35.36 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.772 0.32 . . . . 0.39 111.058 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1904 ' ' ALA . . . . . 0.456 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -61.59 -46.09 91.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.46 111.207 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' 1902 ' ' PRO . 9.9 p -76.67 -26.49 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.943 0.402 . . . . 1.26 110.949 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.32 -18.24 59.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.64 111.125 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -66.73 156.54 35.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.494 -0.321 . . . . 0.85 110.897 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -77.6 -17.46 57.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.051 -0.522 . . . . 2.67 110.795 -175.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 41.4 t30 -139.7 137.82 35.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.55 . . . . 2.18 110.221 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -54.02 -40.05 66.69 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.583 0.552 . . . . 2.24 111.01 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1911 ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' 1915 ' ' HIS . 43.0 mt-10 -60.3 -39.04 85.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 2.49 111.016 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' 1916 ' ' ILE . 46.0 mm -67.08 -45.34 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.209 -0.45 . . . . 0.89 109.98 178.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.87 -44.8 97.35 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.808 -0.71 . . . . 0.51 111.692 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1914 ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' 1917 ' ' LYS . . . -59.67 -42.54 93.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.16 0.505 . . . . 0.46 110.234 175.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.424 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.3 t-80 -60.08 -43.01 95.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.272 -0.876 . . . . 1.62 110.192 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.572 HD11 ' HE1' ' A' 1850 ' ' PHE . 86.3 mt -61.06 -56.22 19.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 0.4 111.22 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.628 ' O ' ' HG2' ' A' 1921 ' ' GLN . 9.9 ptpt -64.06 -38.59 91.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 1.36 111.162 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -69.09 -30.95 69.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.581 0.229 . . . . 1.91 111.056 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.738 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 1.6 mmp_? -78.12 -24.7 47.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.849 0.357 . . . . 2.55 110.696 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' 1916 ' ' ILE . 61.8 t -73.94 -28.88 24.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.277 0.561 . . . . 0.35 109.494 173.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' 1917 ' ' LYS . 10.9 mm100 -62.0 -31.45 71.82 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.987 -0.552 . . . . 1.22 109.91 174.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.507 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 37.3 mm-40 -55.56 -53.88 50.95 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.776 -0.647 . . . . 1.49 110.349 177.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.682 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.0 mt -66.97 -29.64 69.55 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.53 -0.544 . . . . 0.67 109.53 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1924 ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -57.04 -33.7 64.66 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.577 -0.82 . . . . 0.64 111.978 176.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -94.71 -42.57 8.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.741 0.305 . . . . 0.69 110.435 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -70.61 -53.11 13.13 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.167 -0.47 . . . . 0.25 113.06 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.682 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 92.4 m -62.7 -34.81 77.91 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.194 -0.299 . . . . 1.22 110.194 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1928 ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' 1924 ' ' GLY . 23.1 t -56.49 -50.31 72.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.302 0.572 . . . . 1.03 109.841 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.31 86.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.402 -0.817 . . . . 0.28 110.83 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.716 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.61 -53.63 55.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 0.28 110.744 -178.255 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.6 m -64.25 -39.19 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.26 110.564 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 95.1 m -62.8 -40.98 99.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.12 0.486 . . . . 0.8 110.57 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.567 ' HE3' HG23 ' A' 1946 ' ' THR . 42.9 tptt -67.52 -39.55 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.797 -0.638 . . . . 1.27 110.262 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -57.29 -45.55 84.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 0.3 111.157 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1935 ' ' GLY . . . . . 0.419 ' CA ' HG23 ' A' 1823 ' ' VAL . . . -59.49 -41.96 97.39 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.755 -0.736 . . . . 0.4 112.182 177.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.06 65.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.879 0.371 . . . . 0.5 110.874 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.08 -42.81 62.61 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.66 -0.496 . . . . 0.41 109.66 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.7 -24.88 67.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.927 0.394 . . . . 1.06 111.5 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 99.3 m -67.59 -31.76 72.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.016 -0.538 . . . . 1.43 110.667 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.6 m -151.8 72.06 8.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.551 -0.537 . . . . 0.8 109.551 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.84 -22.56 18.25 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.511 2.808 . . . . 0.69 113.332 -176.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 47.8 m -70.15 -20.88 63.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.948 -0.569 . . . . 1.54 112.144 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.48 113.7 8.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.418 . . . . 1.16 110.889 -174.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 41.4 t -71.04 -39.51 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.556 . . . . 1.33 110.989 -176.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.475 ' O ' ' HG3' ' A' 1949 ' ' GLU . 43.1 t80 -62.33 -50.26 72.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.5 . . . . 1.91 110.585 -176.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.567 HG23 ' HE3' ' A' 1933 ' ' LYS . 31.7 m -62.37 -40.84 97.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.081 -0.509 . . . . 0.6 110.806 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.518 ' HG3' ' HB3' ' A' 1875 ' ' SER . 38.6 ttpt -63.4 -43.98 95.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 1.2 110.476 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.403 ' HA ' HD12 ' A' 1951 ' ' ILE . 40.5 ttmt -64.57 -38.36 90.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 2.67 110.546 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' 1945 ' ' TYR . 50.9 mt-10 -64.72 -34.4 78.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.614 -0.266 . . . . 1.53 110.984 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.55 -38.91 77.66 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.617 -0.512 . . . . 0.31 109.617 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.782 HG23 HG23 ' A' 1872 ' ' VAL . 91.7 mt -56.56 -43.58 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.194 0.521 . . . . 0.35 109.712 172.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.604 ' O ' ' HG3' ' A' 1956 ' ' ARG . 21.2 mm-40 -62.95 -46.55 87.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.59 -0.732 . . . . 2.11 110.744 175.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.473 ' O ' HG23 ' A' 1957 ' ' VAL . 73.3 m -57.42 -41.92 81.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.767 0.317 . . . . 0.88 110.538 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.59 -51.41 69.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 0.25 111.637 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.532 ' O ' ' HG3' ' A' 1959 ' ' GLU . 7.5 ptm180 -62.73 -34.28 76.85 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.768 -0.373 . . . . 3.21 110.997 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.604 ' HG3' ' O ' ' A' 1952 ' ' GLU . 97.6 mtt180 -66.09 -45.57 80.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.849 0.357 . . . . 3.16 110.816 178.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.657 ' HB ' HG21 ' A' 1868 ' ' VAL . 91.7 t -65.51 -40.95 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.3 110.643 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.1 m -57.97 -36.62 72.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.362 -0.381 . . . . 1.13 110.915 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.0 mt-10 -64.59 -35.34 80.68 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.153 0.501 . . . . 1.86 110.376 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.507 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.1 mmtt -70.48 -40.56 73.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.758 -0.655 . . . . 0.65 110.79 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.848 HG11 ' HB2' ' A' 1865 ' ' ALA . 22.1 t -55.39 -41.98 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.944 0.402 . . . . 0.27 110.48 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 44.0 t -57.03 -40.24 76.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.73 -0.668 . . . . 1.3 110.623 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 65.0 m170 -76.9 -29.57 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 1.11 110.734 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' 1960 ' ' LYS . 67.1 t -67.82 -49.91 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.111 0.482 . . . . 0.35 109.831 175.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' 1969 ' ' GLN . 82.3 mt -59.08 -41.27 87.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.697 -0.683 . . . . 0.35 110.495 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.41 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.791 -0.641 . . . . 0.4 111.202 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -58.03 -42.19 84.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 0.46 110.865 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.666 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -72.1 -39.55 68.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.5 110.734 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1969 ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' 1965 ' ' LEU . 31.4 mm-40 -64.69 -32.71 74.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.214 -0.448 . . . . 1.7 110.53 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -79.53 -23.6 42.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.93 111.282 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -77.64 -33.46 42.66 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.689 -0.767 . . . . 2.0 112.685 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 39.8 t30 -84.25 124.56 31.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.815 0.34 . . . . 5.01 110.435 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.726 -0.654 . . . . 7.5 110.222 -179.864 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.888 -0.485 . . . . 21.55 111.888 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 2.6 pp -106.41 -1.75 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.953 0.406 . . . . 20.33 111.092 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.04 131.76 92.19 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.767 -0.652 . . . . 19.2 109.513 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.6 -22.7 50.57 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.401 2.067 . . . . 18.2 112.83 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 25.2 m-85 68.57 -59.1 0.46 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.654 0.782 . . . . 20.33 110.585 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 3.9 t -136.16 102.82 5.12 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.489 -0.93 . . . . 16.69 108.489 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 48.5 t30 -83.88 105.12 14.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.53 . . . . 16.15 111.611 -171.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -115.39 -15.96 11.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.829 -0.623 . . . . 14.41 109.683 175.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . 60.94 21.41 11.68 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.309 -0.859 . . . . 12.08 111.669 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -92.98 -17.73 23.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.164 0.507 . . . . 10.45 110.402 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 49.6 m -149.67 -47.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.779 -0.646 . . . . 8.54 110.918 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 72.06 -48.2 0.68 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.521 0.728 . . . . 6.8 111.069 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -137.01 139.12 41.19 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.482 -0.562 . . . . 4.72 109.482 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -81.99 45.89 3.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.114 -0.565 . . . . 3.52 112.27 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 40.7 t -129.38 -33.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.761 0.315 . . . . 2.13 111.215 -178.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' 1932 ' ' THR . 8.9 p -134.9 10.87 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 120.983 0.421 . . . . 1.83 111.137 -172.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -56.73 -47.04 88.4 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.394 -0.431 . . . . 2.1 113.369 -174.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -76.02 -27.0 63.13 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.66 -0.781 . . . . 0.91 112.12 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.537 ' CE ' HG23 ' A' 1824 ' ' VAL . 24.6 mtp -75.49 -45.36 38.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.719 0.295 . . . . 1.1 110.963 -178.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.6 p -66.74 -24.18 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.036 0.446 . . . . 0.74 110.387 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.34 -39.92 93.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.87 109.985 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 22.6 t -63.69 -38.78 92.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.996 -0.547 . . . . 0.97 110.023 177.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.61 HG23 ' CE2' ' A' 1893 ' ' TYR . 30.2 mt -66.15 -43.59 92.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.107 -0.497 . . . . 0.32 110.235 176.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 50.9 m -60.16 -41.11 92.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.61 110.757 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.25 -39.8 88.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 2.49 110.17 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.511 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -65.29 -30.57 71.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.604 . . . . 0.34 111.511 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1835 ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' 1831 ' ' ILE . 23.9 mt -65.85 -49.03 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.351 0.596 . . . . 0.49 109.853 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -71.21 -39.58 71.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.26 -0.882 . . . . 0.72 111.717 -175.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1837 ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.2 pt20 -61.73 -25.78 67.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.518 -176.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1838 ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' 1834 ' ' ALA . 80.1 mt -65.42 -35.75 81.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.034 0.445 . . . . 0.79 110.58 178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -87.44 -36.19 17.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.999 -0.546 . . . . 1.79 110.857 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.99 20.01 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 3.25 111.249 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1841 ' ' GLY . . . . . 0.598 ' HA3' ' HG3' ' A' 1901 ' ' LYS . . . -79.71 176.61 54.63 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.908 -0.663 . . . . 1.73 112.986 -177.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.24 144.42 99.4 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.294 2.663 . . . . 2.43 113.022 -177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.96 -21.43 34.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.681 -0.691 . . . . 5.03 110.082 178.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1844 ' ' GLY . . . . . 0.756 ' HA2' HG11 ' A' 1905 ' ' VAL . . . -160.29 -173.59 29.02 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.706 -0.679 . . . . 1.86 112.248 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 31.7 t70 60.68 76.97 0.39 Allowed Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 123.499 0.72 . . . . 3.08 112.229 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.95 170.98 17.15 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.696 2.264 . . . . 1.21 110.564 166.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -104.22 31.44 4.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.161 0.505 . . . . 2.82 110.578 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 163.62 -173.85 39.76 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.891 -0.595 . . . . 1.14 111.672 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 38.3 t -90.66 175.45 7.03 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.739 -0.467 . . . . 1.64 109.739 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.535 ' HE1' HD11 ' A' 1916 ' ' ILE . 91.1 t80 -61.13 -38.36 86.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.405 -0.361 . . . . 0.68 110.233 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.6 p -60.86 -37.2 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.79 111.071 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.09 -50.66 67.43 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.134 0.493 . . . . 1.71 110.458 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -70.56 -36.23 73.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.824 -0.626 . . . . 1.07 111.39 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.657 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 59.7 tt0 -55.58 -55.85 27.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.098 0.249 . . . . 0.99 111.386 -179.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.497 ' O ' ' HG3' ' A' 1859 ' ' ARG . 13.2 t -63.09 -34.3 77.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.43 -0.35 . . . . 1.46 111.175 -175.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 26.2 m -74.4 -44.87 50.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.761 0.315 . . . . 0.42 110.943 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 37.2 mmm -61.52 -42.39 98.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.71 111.706 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.712 ' O ' ' HG3' ' A' 1862 ' ' LYS . 31.0 m -64.01 -30.15 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.348 -0.541 . . . . 0.29 110.648 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' 1855 ' ' THR . 63.6 mtp180 -71.62 -47.85 51.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.823 0.345 . . . . 3.02 110.434 178.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.584 ' HB ' HD13 ' A' 1896 ' ' LEU . 3.0 m -65.02 -33.73 76.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.35 110.989 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' 1864 ' ' ILE . . . -65.19 -42.35 93.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.372 -0.376 . . . . 0.25 110.948 178.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.712 ' HG3' ' O ' ' A' 1858 ' ' VAL . 80.6 mttt -64.03 -35.29 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.032 0.444 . . . . 1.31 110.039 177.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.98 92.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.565 -0.743 . . . . 0.41 111.32 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.739 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.73 -28.03 14.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.441 -0.503 . . . . 0.28 110.196 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.859 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -69.65 -43.04 73.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.347 -0.388 . . . . 0.2 111.469 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.423 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.3 p -66.85 -26.32 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.73 110.002 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 75.6 m -74.22 -47.71 33.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.61 -0.723 . . . . 0.25 110.844 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.824 HG21 ' HB ' ' A' 1957 ' ' VAL . 7.3 p -69.38 -32.38 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.723 0.297 . . . . 0.28 111.063 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -69.53 -26.2 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.325 0.583 . . . . 0.91 109.431 175.628 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.468 ' HG3' ' HG3' ' A' 1874 ' ' LYS . 7.5 tp10 -77.83 -33.09 52.51 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 116.078 -0.51 . . . . 0.57 109.685 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.512 ' SD ' HD22 ' A' 1882 ' ' LEU . 5.6 mmt -54.14 -54.93 32.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.888 -0.596 . . . . 1.25 111.358 177.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.665 HG23 HG23 ' A' 1951 ' ' ILE . 11.9 p -59.32 -36.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.516 0.674 . . . . 0.59 110.969 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 85.9 m -76.28 -46.85 25.98 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.125 -0.943 . . . . 0.44 111.118 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.569 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 7.3 mmpt? -77.21 -25.38 51.63 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 116.189 -0.459 . . . . 1.4 111.819 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.445 ' O ' ' HD2' ' A' 1947 ' ' LYS . 20.6 t -63.01 -31.26 72.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.32 0.581 . . . . 1.11 110.036 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -80.0 -27.5 39.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.568 -0.742 . . . . 0.76 111.622 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 11.5 p -109.34 -45.54 3.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.994 0.738 . . . . 1.32 112.994 -172.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1878 ' ' SER . . . . . 0.426 ' HB3' ' HG3' ' A' 1881 ' ' GLU . 69.5 m -140.82 91.29 9.25 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.336 -0.393 . . . . 1.17 111.07 -169.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.8 -27.1 37.96 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.549 2.166 . . . . 0.67 113.326 -174.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.71 -9.8 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 2.24 111.194 -177.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' 1885 ' ' LEU . 31.0 mt-10 -82.14 -10.26 59.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 1.89 110.577 174.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.512 HD22 ' SD ' ' A' 1871 ' ' MET . 95.8 mt -72.63 -31.13 64.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.491 . . . . 0.34 111.639 -176.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1883 ' ' GLY . . . . . 0.412 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -60.59 -55.36 30.38 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.941 -0.647 . . . . 0.38 113.174 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' 1883 ' ' GLY . 9.9 Cg_endo -56.39 -35.81 96.62 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.531 2.154 . . . . 0.58 112.371 174.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' 1881 ' ' GLU . 80.2 mt -70.93 -43.06 68.99 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.567 -0.288 . . . . 0.37 110.466 179.121 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.71 -36.49 69.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.264 -0.426 . . . . 0.36 109.874 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -71.78 -44.22 64.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.099 -0.5 . . . . 1.43 110.687 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.51 -47.85 79.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 1.07 110.58 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.664 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 44.4 tp -54.66 -43.25 72.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.25 109.889 176.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1890 ' ' THR . . . . . 0.497 HG23 HG13 ' A' 1831 ' ' ILE . 51.8 m -61.79 -49.61 75.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.555 -0.748 . . . . 0.28 111.382 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1891 ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' 1895 ' ' ARG . 81.5 p -67.7 -48.46 66.47 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.904 0.383 . . . . 1.17 111.29 -173.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1892 ' ' ASP . . . . . 0.439 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 7.4 m-20 -62.78 -37.6 87.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.973 -0.558 . . . . 0.8 111.273 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1893 ' ' TYR . . . . . 0.61 ' CE2' HG23 ' A' 1831 ' ' ILE . 50.9 t80 -63.02 -44.69 95.27 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.762 -0.375 . . . . 0.31 110.488 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.56 -42.4 90.25 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.84 -0.695 . . . . 0.31 111.72 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 74.4 mtt180 -61.98 -49.98 73.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.799 0.333 . . . . 3.04 110.493 177.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.584 HD13 ' HB ' ' A' 1860 ' ' THR . 21.2 tp -56.79 -51.47 68.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.826 -0.625 . . . . 0.86 110.892 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.17 -30.6 71.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.34 -0.391 . . . . 0.49 111.716 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 49.5 m -73.28 -32.3 64.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.851 0.357 . . . . 1.38 110.755 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -79.36 -29.3 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.995 -0.548 . . . . 1.56 110.825 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.72 97.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.688 -0.687 . . . . 0.34 112.75 -174.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.598 ' HG3' ' HA3' ' A' 1841 ' ' GLY . 5.0 tmtt? -65.12 -54.62 32.17 Favored Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 121.002 -0.279 . . . . 2.27 111.405 -176.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 32.6 Cg_exo -61.01 -30.18 89.26 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.038 1.825 . . . . 0.6 112.266 176.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.33 97.4 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.144 0.497 . . . . 0.39 110.251 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1904 ' ' ALA . . . . . 0.451 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -63.09 -37.55 87.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.339 -0.846 . . . . 0.46 111.142 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1905 ' ' VAL . . . . . 0.756 HG11 ' HA2' ' A' 1844 ' ' GLY . 46.7 t -75.52 -26.63 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.806 -0.634 . . . . 1.26 110.464 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -84.06 -12.65 54.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.64 111.196 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.05 147.11 52.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.215 -0.448 . . . . 0.85 110.873 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.97 -40.8 83.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 2.67 110.432 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.699 ' HB3' HG12 ' A' 1912 ' ' ILE . 47.1 t-20 -106.16 137.05 44.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.722 -0.672 . . . . 2.18 109.941 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.33 -38.23 90.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.294 -0.412 . . . . 2.24 109.904 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.8 -35.67 77.06 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.884 0.373 . . . . 2.49 110.629 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.699 HG12 ' HB3' ' A' 1909 ' ' ASN . 34.8 mm -66.43 -43.59 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.816 -0.629 . . . . 0.89 109.954 178.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1913 ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -64.62 -46.62 89.5 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.753 -0.736 . . . . 0.51 111.885 176.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1914 ' ' ALA . . . . . 0.407 ' HA ' ' HE2' ' A' 1917 ' ' LYS . . . -55.8 -41.12 73.68 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.06 0.457 . . . . 0.46 110.352 176.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' 1919 ' ' ARG . 3.4 t-80 -59.76 -46.15 90.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.283 -0.871 . . . . 1.62 110.609 -178.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.535 HD11 ' HE1' ' A' 1850 ' ' PHE . 79.7 mt -59.29 -54.67 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.4 110.908 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' 1914 ' ' ALA . 48.1 mtmt -59.42 -47.34 85.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 1.36 110.872 -177.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 48.5 m170 -65.31 -34.46 78.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.521 -0.763 . . . . 1.91 111.792 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' 1915 ' ' HIS . 6.6 mmp_? -73.02 -31.73 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.035 -0.266 . . . . 2.55 110.78 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' 1916 ' ' ILE . 93.0 t -67.1 -32.18 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.092 0.472 . . . . 0.35 110.294 176.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.22 -22.57 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 1.22 110.977 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.515 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 6.5 mm-40 -57.45 -43.22 83.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.473 -0.566 . . . . 1.49 109.473 171.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.406 ' HB2' ' CE1' ' A' 1893 ' ' TYR . 52.3 mt -73.37 -26.85 61.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.648 -0.706 . . . . 0.67 109.714 173.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.5 -33.43 58.92 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.585 -0.817 . . . . 0.64 111.455 173.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -93.85 -39.21 10.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 0.69 110.55 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.0 -53.63 9.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.192 -0.528 . . . . 0.25 113.493 -176.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.664 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 22.3 t -62.26 -44.44 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.729 0.265 . . . . 1.22 110.37 -175.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 15.3 m -53.69 -51.29 63.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 1.03 110.63 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.49 98.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.689 -0.687 . . . . 0.28 111.096 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.63 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -63.54 -52.56 60.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.28 110.808 -178.483 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.517 ' HB ' HG21 ' A' 1824 ' ' VAL . 28.2 m -66.87 -31.93 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.697 0.284 . . . . 0.26 110.864 -177.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1932 ' ' THR . . . . . 0.576 ' HA ' HG11 ' A' 1824 ' ' VAL . 97.2 m -65.73 -43.94 87.53 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.23 0.538 . . . . 0.8 110.113 174.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.613 ' HE3' HG23 ' A' 1946 ' ' THR . 26.2 tptt -62.71 -45.15 94.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.467 -0.788 . . . . 1.27 110.328 -178.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.64 84.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.859 -0.61 . . . . 0.3 111.233 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.53 -45.57 95.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.867 -0.683 . . . . 0.4 112.009 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.46 -28.96 59.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.5 110.889 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' 1947 ' ' LYS . 2.7 tm? -71.83 -35.0 69.77 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.052 -0.522 . . . . 0.41 109.666 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -74.2 -25.95 59.98 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.671 -0.412 . . . . 1.06 110.932 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 37.5 t -69.6 -30.55 68.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.055 0.455 . . . . 1.43 109.794 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 49.5 m -147.05 77.32 10.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.8 109.825 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.09 -3.41 8.45 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.142 2.562 . . . . 0.69 112.725 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 8.3 t -94.14 -5.58 46.85 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.696 -0.684 . . . . 1.54 110.555 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.16 102.38 11.05 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.959 -0.386 . . . . 1.16 109.959 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 12.2 m -68.08 -34.89 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.08 -0.509 . . . . 1.33 112.235 -175.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 73.4 t80 -64.72 -49.79 69.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.439 -0.346 . . . . 1.91 110.925 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.613 HG23 ' HE3' ' A' 1933 ' ' LYS . 47.3 m -65.15 -36.17 83.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.342 -0.39 . . . . 0.6 110.804 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.456 ' HB2' HD21 ' A' 1937 ' ' LEU . 38.1 ttpt -63.52 -42.37 98.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.002 -0.545 . . . . 1.2 110.155 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.34 -40.79 97.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 2.67 110.619 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.494 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 46.4 mt-10 -65.81 -31.57 72.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.449 -0.341 . . . . 1.53 111.177 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.1 -37.8 81.58 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.621 -0.511 . . . . 0.31 109.621 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.665 HG23 HG23 ' A' 1872 ' ' VAL . 86.1 mt -58.2 -43.5 85.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.06 -0.518 . . . . 0.35 109.706 174.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.609 ' O ' ' HG3' ' A' 1956 ' ' ARG . 20.6 mm-40 -61.76 -47.5 84.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.739 -0.664 . . . . 2.11 110.744 174.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.478 ' O ' HG23 ' A' 1957 ' ' VAL . 76.6 m -56.47 -44.16 80.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.671 0.272 . . . . 0.88 110.884 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.31 70.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.25 111.892 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' 1952 ' ' GLU . 11.7 ptm180 -62.63 -34.36 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.053 -0.259 . . . . 3.21 110.952 -178.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' 1952 ' ' GLU . 98.9 mtt180 -65.71 -47.06 76.66 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.465 -0.334 . . . . 3.16 110.384 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.824 ' HB ' HG21 ' A' 1868 ' ' VAL . 96.5 t -62.6 -44.05 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.3 110.421 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 41.6 m -55.76 -36.32 67.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.98 -0.555 . . . . 1.13 111.464 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' 1955 ' ' ARG . 41.5 mt-10 -74.83 -34.46 62.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.929 0.395 . . . . 1.86 111.102 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.515 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.8 mmtt -67.3 -34.68 77.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.454 -0.339 . . . . 0.65 110.703 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.859 HG11 ' HB2' ' A' 1865 ' ' ALA . 34.7 t -54.34 -48.65 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 O-C-N 123.34 0.4 . . . . 0.27 111.22 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 29.7 m -59.48 -36.07 75.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 1.3 110.968 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 77.9 m80 -72.93 -33.73 66.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 1.11 110.835 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' 1960 ' ' LYS . 58.9 t -68.01 -45.74 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.854 -0.425 . . . . 0.35 109.854 175.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' 1861 ' ' ALA . 65.9 mt -56.89 -46.52 81.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.714 -0.676 . . . . 0.35 111.245 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.61 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.4 111.863 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -62.31 -25.89 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.417 . . . . 0.46 111.214 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.657 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -74.69 -50.07 18.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.404 . . . . 0.5 111.204 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -70.81 -15.75 62.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.869 0.366 . . . . 1.7 110.82 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -71.14 -21.61 62.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.039 -0.528 . . . . 0.93 110.298 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -81.53 91.45 1.47 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.963 -0.637 . . . . 2.0 112.034 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -116.53 147.54 41.69 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.168 -0.308 . . . . 5.01 110.168 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.522 -0.751 . . . . 7.5 109.825 179.601 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 112.159 -0.376 . . . . 21.55 112.159 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 13.0 tt -171.09 139.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.882 -0.414 . . . . 20.33 109.882 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -82.07 115.8 59.68 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.937 -0.394 . . . . 19.2 109.937 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1812 ' ' PRO . . . . . 0.681 ' HG2' ' HA ' ' A' 1816 ' ' GLU . 93.8 Cg_endo -89.44 11.2 2.97 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.136 2.558 . . . . 18.2 112.958 -177.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 96.1 m-85 54.97 -100.46 0.11 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.408 0.892 . . . . 20.33 113.408 175.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 14.3 t -83.15 -32.03 26.86 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.126 0.417 . . . . 16.69 112.126 -169.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1815 ' ' ASN . . . . . 0.667 ' O ' ' HB2' ' A' 1812 ' ' PRO . 27.8 t-20 -118.59 111.66 18.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.789 -0.449 . . . . 16.15 109.789 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.681 ' HA ' ' HG2' ' A' 1812 ' ' PRO . 39.6 mt-10 -76.52 85.84 3.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.54 0.686 . . . . 14.41 111.386 -173.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -148.61 94.03 2.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.109 -0.95 . . . . 12.08 110.004 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -96.58 -37.89 10.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.2 0.524 . . . . 10.45 109.92 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 20.9 t -108.8 99.13 8.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.493 -0.776 . . . . 8.54 109.507 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -79.56 -47.0 16.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.297 -0.41 . . . . 6.8 111.215 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -100.39 177.54 5.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.243 -0.435 . . . . 4.72 111.073 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -86.31 4.09 86.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.856 -0.688 . . . . 3.52 111.665 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 56.3 t 71.18 111.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 C-N-CA 123.312 0.645 . . . . 2.13 110.759 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.469 HG11 ' HB ' ' A' 1931 ' ' VAL . 85.9 t 68.5 89.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 122.093 0.949 . . . . 1.83 110.82 -175.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -145.25 156.3 26.88 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 114.441 -1.254 . . . . 2.1 110.614 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 85.85 -62.91 4.33 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.784 -0.722 . . . . 0.91 111.871 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1827 ' ' MET . . . . . . . . . . . . . 25.8 ptt? -67.63 -16.83 64.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 1.1 110.969 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 12.7 p -68.78 -26.6 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.005 0.431 . . . . 0.74 110.052 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.52 -31.0 67.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.027 -0.533 . . . . 0.87 110.121 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 74.6 m -59.65 -32.99 70.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.746 -0.661 . . . . 0.97 110.694 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.598 HG23 ' CE2' ' A' 1893 ' ' TYR . 58.6 mt -69.61 -44.71 79.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.986 0.422 . . . . 0.32 110.125 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 10.4 m -62.85 -40.17 96.63 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.93 -0.577 . . . . 0.61 110.64 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.41 -40.97 96.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 2.49 110.191 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -60.73 -32.0 71.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.78 . . . . 0.34 111.352 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1835 ' ' ILE . . . . . 0.425 HD11 ' C ' ' A' 1924 ' ' GLY . 51.9 mt -65.56 -54.92 22.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.078 0.466 . . . . 0.49 110.155 175.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -61.6 -46.68 88.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.589 -0.732 . . . . 0.72 111.786 -175.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -56.93 -31.28 64.79 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.364 0.505 . . . . 1.0 112.364 -173.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1838 ' ' LEU . . . . . 0.502 HD21 ' O ' ' A' 1897 ' ' ALA . 80.3 mt -79.34 -43.44 23.54 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.665 0.246 . . . . 0.79 111.665 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -87.26 -30.1 21.16 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.702 -0.399 . . . . 1.79 111.561 -174.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -65.79 -58.98 4.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.836 -0.431 . . . . 3.25 109.836 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 176.23 120.72 0.63 Allowed Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.657 -0.701 . . . . 1.73 111.723 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -83.29 168.97 12.92 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.502 2.135 . . . . 2.43 111.575 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 27.5 ttt -95.16 -36.01 11.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.278 0.561 . . . . 5.03 109.561 174.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 94.29 -110.16 3.94 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.469 -0.787 . . . . 1.86 111.529 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1845 ' ' ASP . . . . . 0.421 ' N ' ' HD3' ' A' 1846 ' ' PRO . 38.2 t70 60.33 67.32 1.66 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.029 0.487 . . . . 3.08 111.054 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1846 ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' 1845 ' ' ASP . 4.4 Cg_endo -84.76 119.07 2.18 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 122.653 2.235 . . . . 1.21 111.79 175.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -93.61 14.19 19.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.843 -0.617 . . . . 2.82 110.38 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -167.12 -150.52 6.47 Favored Glycine 0 N--CA 1.441 -0.981 0 CA-C-N 115.505 -0.77 . . . . 1.14 111.463 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 38.2 m -104.86 176.84 5.03 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.872 0.368 . . . . 1.64 110.581 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1850 ' ' PHE . . . . . 0.599 ' HE1' HD11 ' A' 1916 ' ' ILE . 84.6 t80 -56.02 -41.53 75.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.831 -0.622 . . . . 0.68 110.728 177.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -59.15 -35.2 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.057 -0.52 . . . . 0.79 111.601 -177.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.57 -50.64 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.252 0.549 . . . . 1.71 110.872 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.7 -31.03 56.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.851 -0.613 . . . . 1.07 110.805 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.682 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 51.5 tt0 -56.75 -57.27 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.99 111.121 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1855 ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' 1859 ' ' ARG . 14.9 t -62.98 -31.04 72.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 1.46 110.631 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 90.2 m -72.8 -43.96 62.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.286 -0.416 . . . . 0.42 111.394 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 81.4 mtp -71.34 -38.82 71.63 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.996 0.369 . . . . 0.71 111.996 -176.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.665 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.5 m -61.87 -31.41 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.519 -0.472 . . . . 0.29 110.77 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' 1855 ' ' THR . 68.7 mtt180 -70.34 -44.12 68.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.844 0.354 . . . . 3.02 110.457 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.599 ' HB ' HD21 ' A' 1896 ' ' LEU . 23.5 m -66.86 -33.17 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.303 -0.408 . . . . 0.35 110.921 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.5 ' O ' HG13 ' A' 1864 ' ' ILE . . . -61.78 -42.19 98.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.25 110.541 175.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.665 ' HG3' ' O ' ' A' 1858 ' ' VAL . 59.4 mttm -62.38 -31.94 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 1.31 110.414 176.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.51 72.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.763 -0.653 . . . . 0.41 111.249 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.768 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -75.77 -29.8 20.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.393 -0.523 . . . . 0.28 109.994 178.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.844 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.22 -44.49 68.47 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 116.269 -0.423 . . . . 0.2 111.614 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.8 p -64.64 -26.49 40.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.368 0.604 . . . . 0.73 110.087 177.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 98.8 m -74.39 -49.95 20.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 0.25 111.159 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.795 HG21 ' HB ' ' A' 1957 ' ' VAL . 5.1 p -65.96 -32.65 59.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.827 0.346 . . . . 0.28 111.035 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.622 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -69.96 -27.91 65.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.217 0.532 . . . . 0.91 109.719 176.851 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.493 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.9 tp10 -78.09 -35.92 48.78 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.87 -0.418 . . . . 0.57 109.87 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' 1885 ' ' LEU . 48.5 mmm -60.85 -34.34 74.44 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.15 -0.477 . . . . 1.25 111.513 -178.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' 1869 ' ' GLN . 9.5 p -70.04 -34.75 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.483 0.659 . . . . 0.59 110.301 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 84.8 m -80.97 -42.52 21.11 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.617 -0.72 . . . . 0.44 110.98 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.774 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -70.67 -32.65 69.98 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 116.151 -0.477 . . . . 1.4 112.159 -175.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1875 ' ' SER . . . . . 0.468 ' HA ' HD11 ' A' 1882 ' ' LEU . 10.1 p -62.39 -26.46 68.49 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.49 0.662 . . . . 1.11 110.58 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -82.57 -34.78 27.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.346 -0.843 . . . . 0.76 112.035 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 7.6 p -108.88 -35.95 6.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.253 0.834 . . . . 1.32 113.253 -170.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 72.6 m -150.0 85.86 5.43 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.42 -0.355 . . . . 1.17 110.507 -171.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1879 ' ' PRO . . . . . 0.402 ' HG3' ' HB3' ' A' 1941 ' ' PRO . 26.6 Cg_endo -61.19 -29.43 86.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.574 2.182 . . . . 0.67 112.165 -177.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.22 -24.72 64.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.858 -0.61 . . . . 2.24 111.181 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.408 ' O ' ' HD2' ' A' 1884 ' ' PRO . 33.7 mm-40 -74.32 -17.07 60.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 1.89 111.388 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' 1875 ' ' SER . 92.5 mt -68.78 -23.68 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.101 -0.5 . . . . 0.34 111.219 -178.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.42 17.95 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.63 -0.795 . . . . 0.38 112.877 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' 1881 ' ' GLU . 36.3 Cg_exo -59.96 -33.44 95.64 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.522 2.148 . . . . 0.58 112.194 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1885 ' ' LEU . . . . . 0.416 ' HB2' ' SD ' ' A' 1871 ' ' MET . 76.2 mt -73.5 -46.12 49.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.266 -0.425 . . . . 0.37 110.95 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.39 -31.23 65.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.145 0.498 . . . . 0.36 109.679 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -70.32 -50.78 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.559 -0.746 . . . . 1.43 110.521 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -64.58 -42.48 95.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 1.07 110.548 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.448 HD12 ' HB ' ' A' 1864 ' ' ILE . 47.3 tp -56.34 -42.68 78.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.25 109.763 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 37.3 m -64.14 -49.15 73.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.413 -0.812 . . . . 0.28 111.153 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 17.3 t -65.24 -53.05 50.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.94 -0.573 . . . . 1.17 111.72 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.52 -35.16 79.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.8 111.208 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1893 ' ' TYR . . . . . 0.598 ' CE2' HG23 ' A' 1831 ' ' ILE . 58.0 t80 -63.77 -41.21 98.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.31 110.297 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -65.47 -30.6 77.92 Favored Glycine 0 CA--C 1.507 -0.452 0 N-CA-C 110.904 -0.878 . . . . 0.31 110.904 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' A' 1899 ' ' GLN . 6.7 ttp180 -72.14 -40.23 68.19 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.917 -0.642 . . . . 3.04 110.479 175.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.599 HD21 ' HB ' ' A' 1860 ' ' THR . 14.5 mt -63.85 -40.9 97.66 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.827 -0.349 . . . . 0.86 110.497 175.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1897 ' ' ALA . . . . . 0.502 ' O ' HD21 ' A' 1838 ' ' LEU . . . -63.34 -32.41 73.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.744 -0.662 . . . . 0.49 112.024 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 10.0 p -80.36 -44.5 19.35 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.939 -0.304 . . . . 1.38 110.835 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1899 ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' 1895 ' ' ARG . 90.8 mt-30 -65.1 -24.12 67.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.464 -0.334 . . . . 1.56 111.722 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -65.74 -27.96 68.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.431 -0.35 . . . . 0.34 111.628 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.544 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 97.0 mttt -64.37 -59.7 10.26 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 116.644 -0.253 . . . . 2.27 111.33 -179.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 36.1 Cg_endo -66.4 -30.0 44.89 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.743 1.629 . . . . 0.6 112.153 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.17 97.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.014 0.435 . . . . 0.39 110.555 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.13 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.625 . . . . 0.46 111.006 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 49.0 t -75.55 -32.9 25.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 1.26 111.037 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -75.12 -10.32 59.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.64 111.084 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -76.13 141.67 41.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 0.85 110.379 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -78.81 -11.74 60.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.204 0.526 . . . . 2.67 110.735 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.658 ' HB2' HG12 ' A' 1912 ' ' ILE . 2.1 m-20 -122.35 140.92 52.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.508 . . . . 2.18 109.921 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -65.39 -39.31 92.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.757 -0.46 . . . . 2.24 109.757 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1911 ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' 1911 ' ' GLU . 2.4 mp0 -59.02 -38.95 80.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 2.49 110.813 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.658 HG12 ' HB2' ' A' 1909 ' ' ASN . 42.3 mm -68.74 -44.42 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.015 -0.539 . . . . 0.89 110.281 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.07 -44.79 93.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.51 111.687 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -56.09 -44.02 78.62 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.224 0.535 . . . . 0.46 110.383 175.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1915 ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' 1911 ' ' GLU . 3.1 t-80 -61.61 -42.44 98.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.087 -0.96 . . . . 1.62 110.528 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.599 HD11 ' HE1' ' A' 1850 ' ' PHE . 85.8 mt -62.27 -55.39 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.4 110.803 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.611 ' O ' ' HG2' ' A' 1921 ' ' GLN . 50.2 mtmt -59.47 -44.74 92.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 1.36 110.981 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1918 ' ' HIS . . . . . 0.518 ' HA ' ' CG ' ' A' 1921 ' ' GLN . 2.0 m-70 -75.19 -25.48 58.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.53 0.567 . . . . 1.91 112.53 -175.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.515 ' HA ' ' HD3' ' A' 1919 ' ' ARG . 51.9 mmt-85 -74.93 -28.77 60.73 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.367 -0.533 . . . . 2.55 110.787 174.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1920 ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' 1916 ' ' ILE . 61.0 t -68.5 -34.0 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.556 -0.535 . . . . 0.35 109.556 173.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' A' 1917 ' ' LYS . 10.2 mm100 -57.75 -32.03 67.06 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.773 -0.648 . . . . 1.22 110.575 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.597 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 18.0 mm-40 -59.98 -47.21 86.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.654 -0.703 . . . . 1.49 110.461 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1923 ' ' LEU . . . . . 0.691 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 16.5 mt -70.56 -27.85 64.45 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.285 -0.635 . . . . 0.67 109.285 176.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1924 ' ' GLY . . . . . 0.425 ' C ' HD11 ' A' 1835 ' ' ILE . . . -55.93 -34.29 61.48 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.867 -0.683 . . . . 0.64 112.133 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -89.67 -46.2 8.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.768 0.318 . . . . 0.69 110.466 176.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.06 -56.73 12.82 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.063 -0.589 . . . . 0.25 113.12 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 99.2 m -61.52 -36.27 80.07 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.669 0.388 . . . . 1.22 111.01 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 12.7 t -62.08 -49.73 74.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 1.03 110.019 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.53 86.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.28 110.741 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.721 HD11 HG23 ' A' 1868 ' ' VAL . 0.8 OUTLIER -62.2 -53.36 56.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.78 -0.646 . . . . 0.28 111.362 -179.268 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.469 ' HB ' HG11 ' A' 1824 ' ' VAL . 18.9 m -66.38 -31.11 52.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.965 0.412 . . . . 0.26 110.644 -177.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 88.4 m -69.41 -41.28 76.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.009 -0.541 . . . . 0.8 110.574 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.537 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.5 tptt -71.84 -35.2 69.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.587 . . . . 1.27 110.829 -176.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -58.04 -37.14 73.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.3 111.5 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.46 98.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.8 -0.715 . . . . 0.4 111.848 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.32 -30.43 62.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.037 0.446 . . . . 0.5 110.605 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' 1947 ' ' LYS . 2.3 tm? -71.59 -37.34 71.0 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.021 -0.536 . . . . 0.41 109.74 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -70.99 -26.08 62.98 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.481 -0.488 . . . . 1.06 110.975 175.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 11.5 t -67.69 -32.27 72.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.204 -0.453 . . . . 1.43 109.822 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 73.9 m -150.77 81.63 6.34 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.8 110.095 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1941 ' ' PRO . . . . . 0.402 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 18.6 Cg_endo -61.07 -18.67 59.32 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.311 2.674 . . . . 0.69 112.855 -176.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 48.2 m -83.39 -12.94 55.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.002 -0.544 . . . . 1.54 111.753 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.4 108.76 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.104 0.478 . . . . 1.16 110.539 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 14.7 m -63.43 -38.54 82.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.615 -0.72 . . . . 1.33 111.99 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -69.9 -46.95 64.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.49 -0.323 . . . . 1.91 110.966 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 35.7 m -60.22 -41.65 93.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 0.6 110.344 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.454 ' O ' HG13 ' A' 1951 ' ' ILE . 38.3 ttpt -63.78 -46.21 86.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.815 -0.63 . . . . 1.2 110.291 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1948 ' ' LYS . . . . . 0.586 ' O ' ' HG2' ' A' 1952 ' ' GLU . 54.6 tttm -56.15 -48.46 76.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.861 -0.609 . . . . 2.67 111.059 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.537 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 52.3 mt-10 -61.79 -35.26 77.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.369 . . . . 1.53 111.483 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1950 ' ' LEU . . . . . 0.417 ' HG ' HD23 ' A' 1930 ' ' LEU . 8.9 tt -68.49 -36.41 78.89 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.72 -0.474 . . . . 0.31 109.72 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.475 HG23 HG23 ' A' 1872 ' ' VAL . 85.6 mt -62.99 -41.38 92.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 0.35 110.03 174.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' 1948 ' ' LYS . 58.4 mm-40 -57.82 -46.73 84.29 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.541 -0.541 . . . . 2.11 109.541 174.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.521 ' O ' HG23 ' A' 1957 ' ' VAL . 69.8 m -58.94 -46.85 86.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.642 -0.708 . . . . 0.88 110.9 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -56.54 -46.04 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.25 111.536 -178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.504 ' O ' ' HG2' ' A' 1959 ' ' GLU . 64.4 mtt180 -60.88 -45.52 94.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.553 -0.294 . . . . 3.21 110.609 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.607 ' O ' ' HG2' ' A' 1960 ' ' LYS . 22.5 mtm180 -60.34 -41.47 93.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.36 -0.382 . . . . 3.16 111.062 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.795 ' HB ' HG21 ' A' 1868 ' ' VAL . 53.5 t -65.02 -47.2 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.901 0.381 . . . . 0.3 110.654 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 16.0 m -57.36 -35.66 70.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 1.13 111.003 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' 1955 ' ' ARG . 5.7 mm-40 -70.53 -29.34 65.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.28 0.562 . . . . 1.86 111.39 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.2 mmtt -76.31 -35.28 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.167 -0.469 . . . . 0.65 110.73 -178.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.844 HG11 ' HB2' ' A' 1865 ' ' ALA . 27.4 t -55.1 -45.85 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 O-C-N 123.224 0.327 . . . . 0.27 111.388 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 41.4 t -58.24 -36.42 73.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.979 0.419 . . . . 1.3 110.429 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 67.1 m80 -77.36 -26.98 52.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.471 . . . . 1.11 111.102 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' 1960 ' ' LYS . 57.7 t -73.13 -45.16 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.699 -0.482 . . . . 0.35 109.699 174.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.547 ' O ' ' HG2' ' A' 1969 ' ' GLN . 71.2 mt -59.76 -46.22 89.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.787 -0.642 . . . . 0.35 110.418 176.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.26 -24.75 65.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.4 111.469 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1967 ' ' ALA . . . . . 0.461 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -62.59 -41.24 98.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.376 . . . . 0.46 110.626 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.682 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -71.49 -38.02 71.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.07 -0.513 . . . . 0.5 110.814 177.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1969 ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' 1965 ' ' LEU . 75.5 mm-40 -64.57 -19.19 65.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 1.7 111.107 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -78.67 -8.86 59.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.93 111.358 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1971 ' ' GLY . . . . . 0.577 ' HA3' ' CE2' ' A' 1850 ' ' PHE . . . -73.11 152.75 47.41 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.907 -0.663 . . . . 2.0 112.137 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -121.84 115.84 23.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.772 0.32 . . . . 5.01 111.296 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.56 -0.734 . . . . 7.5 109.313 172.934 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.945 -0.462 . . . . 21.55 111.945 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1810 ' ' ILE . . . . . 0.605 HD13 ' H ' ' A' 1810 ' ' ILE . 0.2 OUTLIER -125.11 -25.66 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.691 0.245 . . . . 20.33 110.593 177.768 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 21.6 m-20 61.3 92.47 0.06 OUTLIER Pre-proline 0 N--CA 1.463 0.218 0 O-C-N 123.883 0.739 . . . . 19.2 110.831 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -70.65 114.93 4.01 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.682 2.255 . . . . 18.2 113.061 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -126.98 14.64 7.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.866 -0.606 . . . . 20.33 110.243 175.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 2.4 m -79.56 30.11 0.24 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.644 -0.707 . . . . 16.69 110.863 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 7.5 t30 60.1 50.22 6.73 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.758 0.79 . . . . 16.15 109.691 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.706 ' HG2' ' HB2' ' A' 1819 ' ' SER . 11.0 tp10 -154.48 130.95 10.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.108 -0.951 . . . . 14.41 109.171 -178.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -73.24 -65.06 0.86 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.149 0.426 . . . . 12.08 112.149 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -104.8 25.3 10.57 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.129 0.418 . . . . 10.45 112.129 -171.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1819 ' ' SER . . . . . 0.706 ' HB2' ' HG2' ' A' 1816 ' ' GLU . 38.8 m -149.85 146.42 27.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.027 0.442 . . . . 8.54 111.432 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -121.93 -59.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.714 -0.675 . . . . 6.8 109.394 175.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -98.2 14.79 26.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.525 -0.761 . . . . 4.72 109.368 172.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1822 ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' 1819 ' ' SER . . . 77.33 -69.37 2.54 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.247 -0.888 . . . . 3.52 111.826 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 4.7 t -70.78 -69.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.03 0.443 . . . . 2.13 110.854 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1824 ' ' VAL . . . . . 0.497 HG11 ' HB ' ' A' 1931 ' ' VAL . 49.1 t -108.53 114.59 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.084 -0.507 . . . . 1.83 110.198 -177.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -169.65 25.78 0.11 Allowed Glycine 0 C--N 1.319 -0.376 0 C-N-CA 120.708 -0.758 . . . . 2.1 112.702 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -134.71 -52.86 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.698 -0.763 . . . . 0.91 111.643 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1827 ' ' MET . . . . . 0.673 ' HB2' HG21 ' A' 1890 ' ' THR . 24.2 ptt? -69.04 -13.06 62.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.877 0.37 . . . . 1.1 111.405 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.8 p -69.25 -29.69 43.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.343 0.592 . . . . 0.74 109.99 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.62 -38.65 84.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.87 109.649 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 18.9 m -57.81 -45.83 85.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.317 -0.856 . . . . 0.97 110.452 175.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.429 HG23 ' CE2' ' A' 1893 ' ' TYR . 61.5 mt -58.61 -43.89 88.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.651 -0.704 . . . . 0.32 110.613 177.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 29.3 m -61.87 -44.23 97.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 0.61 110.973 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -64.82 -37.73 88.6 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.837 0.351 . . . . 2.49 111.044 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1834 ' ' ALA . . . . . 0.475 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -62.44 -31.61 72.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.929 -0.578 . . . . 0.34 111.085 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1835 ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' 1831 ' ' ILE . 67.3 mt -66.3 -46.19 87.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.943 -0.572 . . . . 0.49 110.232 174.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -67.99 -42.52 80.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.659 -0.7 . . . . 0.72 112.196 -174.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1837 ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' 1834 ' ' ALA . 3.1 pt20 -58.52 -30.62 67.22 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.132 0.492 . . . . 1.0 111.623 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1838 ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 81.0 mt -69.55 -39.46 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.237 -0.438 . . . . 0.79 111.333 -176.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 24.5 t70 -80.02 -34.54 38.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.189 -0.459 . . . . 1.79 111.358 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.91 -24.66 43.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.402 -0.363 . . . . 3.25 111.622 -175.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1841 ' ' GLY . . . . . 0.515 ' O ' ' HE3' ' A' 1901 ' ' LYS . . . -121.51 103.57 0.88 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.245 -0.978 . . . . 1.73 113.141 -176.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -98.92 11.11 0.76 Allowed 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.201 2.601 . . . . 2.43 112.013 172.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 27.3 ptt? -109.42 164.76 12.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 5.03 111.279 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 170.18 176.64 39.89 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.253 -0.739 . . . . 1.86 111.253 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -130.29 84.36 60.05 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 121.128 0.49 . . . . 3.08 110.301 175.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -82.4 149.92 15.03 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.655 2.236 . . . . 1.21 112.375 176.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -123.71 -9.35 7.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.844 -0.617 . . . . 2.82 110.473 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -86.39 171.1 43.48 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.74 -0.743 . . . . 1.14 112.121 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 2.8 p -88.82 32.98 0.78 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.656 0.243 . . . . 1.64 111.656 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 80.3 t80 69.21 -54.45 0.57 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.32 0.648 . . . . 0.68 111.497 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1851 ' ' VAL . . . . . 0.445 ' HA ' ' HB3' ' A' 1854 ' ' GLN . 10.0 p -56.28 -30.73 30.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.457 -0.338 . . . . 0.79 111.191 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.72 -40.89 98.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 1.71 110.623 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -76.15 -40.23 53.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.575 -0.528 . . . . 1.07 109.575 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1854 ' ' GLN . . . . . 0.642 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 47.6 tt0 -54.3 -51.79 63.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.134 -0.939 . . . . 0.99 111.289 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 4.9 p -61.29 -40.32 93.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 1.46 111.324 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 17.5 m -63.57 -37.69 88.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.064 0.459 . . . . 0.42 110.464 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 69.7 mtp -72.44 -51.1 21.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.71 111.871 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1858 ' ' VAL . . . . . 0.709 ' O ' ' HG3' ' A' 1862 ' ' LYS . 29.7 m -58.87 -39.26 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.727 -0.389 . . . . 0.29 111.179 -175.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1859 ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' 1859 ' ' ARG . 40.7 mtp180 -67.56 -37.11 82.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 3.02 110.922 178.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1860 ' ' THR . . . . . 0.591 ' HB ' HD21 ' A' 1896 ' ' LEU . 63.6 m -69.96 -35.5 74.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.978 0.418 . . . . 0.35 110.516 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1861 ' ' ALA . . . . . 0.574 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.07 -42.95 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.25 110.491 176.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1862 ' ' LYS . . . . . 0.709 ' HG3' ' O ' ' A' 1858 ' ' VAL . 80.5 mttt -67.22 -26.43 66.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.87 0.367 . . . . 1.31 110.295 176.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1863 ' ' ALA . . . . . 0.449 ' O ' HG12 ' A' 1866 ' ' VAL . . . -71.07 -42.25 69.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.41 110.886 178.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1864 ' ' ILE . . . . . 0.609 HD11 HG22 ' A' 1961 ' ' VAL . 1.6 pp -73.06 -27.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.703 -0.48 . . . . 0.28 109.703 176.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1865 ' ' ALA . . . . . 0.808 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.34 -40.99 81.4 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.97 -0.559 . . . . 0.2 111.493 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1866 ' ' VAL . . . . . 0.452 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 12.8 p -68.83 -27.49 35.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.354 -0.539 . . . . 0.73 110.121 178.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1867 ' ' THR . . . . . 0.56 ' O ' ' HG3' ' A' 1871 ' ' MET . 99.1 m -70.79 -51.93 23.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.25 110.791 174.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1868 ' ' VAL . . . . . 0.771 HG21 ' HB ' ' A' 1957 ' ' VAL . 7.3 p -63.79 -36.66 77.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.717 0.294 . . . . 0.28 111.024 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1869 ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -68.51 -26.2 65.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.291 0.567 . . . . 0.91 109.794 177.67 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1870 ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' 1869 ' ' GLN . 5.4 tp10 -77.17 -38.5 51.61 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.57 109.803 176.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1871 ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' 1867 ' ' THR . 81.8 mtp -64.71 -41.8 95.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 1.25 110.923 -177.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1872 ' ' VAL . . . . . 0.495 HG23 HG23 ' A' 1951 ' ' ILE . 11.3 p -63.65 -30.75 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 0.59 110.456 178.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 99.0 m -80.99 -55.19 4.95 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.143 -0.935 . . . . 0.44 111.258 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1874 ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 9.1 mmpt? -67.78 -28.13 67.35 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 113.068 0.766 . . . . 1.4 113.068 -172.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 7.2 p -57.9 -25.11 60.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.978 0.354 . . . . 1.11 111.777 -176.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -69.26 -54.15 16.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.053 -0.521 . . . . 0.76 111.623 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 1.9 p -100.99 -30.14 11.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.704 0.631 . . . . 1.32 112.704 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1878 ' ' SER . . . . . 0.488 ' HB2' ' HG2' ' A' 1881 ' ' GLU . 13.1 p -135.2 82.98 40.09 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.816 0.341 . . . . 1.17 111.13 -173.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.38 -23.67 37.8 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.549 2.166 . . . . 0.67 112.428 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.59 -23.19 61.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.325 -0.398 . . . . 2.24 111.337 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.488 ' HG2' ' HB2' ' A' 1878 ' ' SER . 25.2 mm-40 -76.6 -10.45 59.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.961 0.41 . . . . 1.89 111.141 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1882 ' ' LEU . . . . . 0.441 HD12 HD12 ' A' 1937 ' ' LEU . 94.1 mt -69.27 -28.01 65.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 0.34 111.207 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1883 ' ' GLY . . . . . 0.405 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.68 -56.44 19.19 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.858 -0.687 . . . . 0.38 113.436 -177.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1884 ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' 1883 ' ' GLY . 19.3 Cg_endo -61.2 -32.32 90.58 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.258 1.972 . . . . 0.58 112.259 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.1 -41.79 63.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.373 -0.376 . . . . 0.37 110.913 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -59.52 -32.66 70.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.291 0.567 . . . . 0.36 109.737 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.08 -47.37 65.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.425 -0.807 . . . . 1.43 111.418 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -69.56 -42.66 74.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.567 -0.288 . . . . 1.07 110.905 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1889 ' ' LEU . . . . . 0.562 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 44.0 tp -54.48 -39.97 68.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 0.25 109.894 178.215 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1890 ' ' THR . . . . . 0.673 HG21 ' HB2' ' A' 1827 ' ' MET . 82.8 m -68.28 -49.09 62.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.541 -0.754 . . . . 0.28 111.731 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 72.9 p -67.14 -47.19 71.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.267 0.556 . . . . 1.17 111.29 -173.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -32.62 73.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.283 -0.871 . . . . 0.8 110.862 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1893 ' ' TYR . . . . . 0.429 ' CE2' HG23 ' A' 1831 ' ' ILE . 42.5 t80 -61.36 -42.44 98.71 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.98 0.419 . . . . 0.31 109.929 171.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.71 -29.37 61.29 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.613 -0.722 . . . . 0.31 112.351 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1895 ' ' ARG . . . . . 0.446 ' HB2' HG21 ' A' 1860 ' ' THR . 68.0 mtt180 -65.76 -48.73 70.87 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.398 0.618 . . . . 3.04 109.608 178.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1896 ' ' LEU . . . . . 0.591 HD21 ' HB ' ' A' 1860 ' ' THR . 40.6 mt -61.74 -38.84 89.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.618 -0.719 . . . . 0.86 110.754 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1897 ' ' ALA . . . . . 0.475 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -66.34 -26.12 67.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.752 -0.658 . . . . 0.49 111.942 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 7.6 p -91.92 -31.43 15.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.823 -0.351 . . . . 1.38 111.31 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -77.42 -30.16 53.35 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.805 0.298 . . . . 1.56 111.805 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.62 79.15 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.97 0.729 . . . . 0.34 112.97 -172.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1901 ' ' LYS . . . . . 0.645 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 56.4 mtpt -67.96 -53.59 19.66 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 120.865 -0.334 . . . . 2.27 111.725 -177.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1902 ' ' PRO . . . . . 0.645 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 45.0 Cg_exo -59.05 -34.65 99.01 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.975 1.784 . . . . 0.6 112.208 173.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.53 98.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.867 0.365 . . . . 0.39 110.695 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.15 84.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.638 . . . . 0.46 111.163 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 21.5 t -75.31 -29.55 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.974 -0.557 . . . . 1.26 110.759 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.25 -18.04 59.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.64 111.164 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -72.77 149.58 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.496 . . . . 0.85 110.69 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.45 -18.73 61.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.247 0.546 . . . . 2.67 110.803 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1909 ' ' ASN . . . . . 0.604 ' HB3' HG12 ' A' 1912 ' ' ILE . 44.9 t-20 -128.47 132.39 48.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.781 -0.645 . . . . 2.18 109.76 -174.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.54 -32.05 73.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.035 0.445 . . . . 2.24 110.281 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -65.78 -34.1 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.928 -0.578 . . . . 2.49 110.249 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1912 ' ' ILE . . . . . 0.604 HG12 ' HB3' ' A' 1909 ' ' ASN . 36.1 mm -66.33 -42.44 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.057 -0.52 . . . . 0.89 109.612 176.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.48 -44.88 97.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.902 -0.666 . . . . 0.51 111.902 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.74 94.47 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.308 0.575 . . . . 0.46 110.236 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1915 ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -59.78 -37.05 77.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.077 -0.965 . . . . 1.62 110.803 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1916 ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' 1912 ' ' ILE . 92.3 mt -67.78 -54.85 19.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.4 111.054 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1917 ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.6 ptpt -67.22 -31.56 72.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 1.36 111.811 -174.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 36.4 m170 -68.02 -31.81 71.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 1.91 110.663 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1919 ' ' ARG . . . . . 0.718 ' HB3' HG22 ' A' 1964 ' ' VAL . 17.8 mmm180 -70.44 -31.47 68.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.321 -0.399 . . . . 2.55 110.761 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 22.0 t -71.9 -31.42 40.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.4 -0.364 . . . . 0.35 110.106 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1921 ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.4 mm-40 -57.72 -36.76 72.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.301 0.572 . . . . 1.22 109.923 175.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1922 ' ' GLU . . . . . 0.55 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 17.7 mm-40 -59.68 -49.36 78.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.175 -0.92 . . . . 1.49 111.22 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 15.3 mt -66.8 -32.01 73.02 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 109.256 -0.646 . . . . 0.67 109.256 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.94 -52.39 35.23 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.303 -0.951 . . . . 0.64 111.44 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -72.16 -33.95 68.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.652 0.263 . . . . 0.69 110.82 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1926 ' ' GLY . . . . . 0.478 ' HA3' HG22 ' A' 1957 ' ' VAL . . . -73.11 -54.38 7.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.989 -0.624 . . . . 0.25 112.189 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1927 ' ' CYS . . . . . 0.562 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 14.1 t -55.03 -49.99 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.991 0.517 . . . . 1.22 110.635 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 47.3 m -51.63 -52.44 47.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.948 0.404 . . . . 1.03 110.648 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.32 96.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 0.28 111.07 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1930 ' ' LEU . . . . . 0.498 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.44 -52.98 62.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.939 -0.573 . . . . 0.28 110.892 -177.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1931 ' ' VAL . . . . . 0.497 ' HB ' HG11 ' A' 1824 ' ' VAL . 23.6 m -66.41 -36.01 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.68 0.276 . . . . 0.26 110.898 -177.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 100.0 m -63.56 -46.51 85.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.137 0.494 . . . . 0.8 110.367 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1933 ' ' LYS . . . . . 0.46 ' HE3' HG23 ' A' 1946 ' ' THR . 37.1 tptt -67.09 -39.34 86.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.831 -0.622 . . . . 1.27 110.286 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.33 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.3 111.272 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.22 -44.08 97.59 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.681 -0.771 . . . . 0.4 111.879 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -78.0 -29.67 49.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.691 0.281 . . . . 0.5 111.36 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1937 ' ' LEU . . . . . 0.441 HD12 HD12 ' A' 1882 ' ' LEU . 3.2 tm? -69.07 -37.42 78.49 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 109.825 -0.435 . . . . 0.41 109.825 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -71.63 -24.81 61.94 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.909 0.385 . . . . 1.06 110.779 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.5 t -72.01 -29.7 64.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.277 -0.42 . . . . 1.43 109.949 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 15.4 m -136.66 65.33 54.01 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.8 110.399 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.83 -14.36 41.26 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.415 2.076 . . . . 0.69 112.723 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 74.3 m -84.39 -14.29 49.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.84 -0.618 . . . . 1.54 111.252 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.12 127.33 32.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.831 0.348 . . . . 1.16 110.124 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 35.1 t -79.55 -40.59 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.25 -0.432 . . . . 1.33 111.341 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1945 ' ' TYR . . . . . 0.405 ' O ' ' HG3' ' A' 1949 ' ' GLU . 35.0 t80 -64.89 -45.09 87.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.355 -0.384 . . . . 1.91 111.253 -173.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1946 ' ' THR . . . . . 0.46 HG23 ' HE3' ' A' 1933 ' ' LYS . 28.7 m -59.69 -41.7 91.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.062 0.458 . . . . 0.6 110.853 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1947 ' ' LYS . . . . . 0.408 ' HB2' HD21 ' A' 1937 ' ' LEU . 36.7 ttpt -68.57 -42.76 77.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 1.2 110.213 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 61.8 tttp -52.98 -44.06 66.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.471 -0.786 . . . . 2.67 110.65 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1949 ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' 1945 ' ' TYR . 42.9 mt-10 -66.48 -45.79 78.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.931 -0.577 . . . . 1.53 110.999 177.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.98 -42.99 99.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.465 -0.334 . . . . 0.31 111.209 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1951 ' ' ILE . . . . . 0.538 ' O ' ' HG3' ' A' 1955 ' ' ARG . 84.5 mt -56.08 -43.64 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.964 0.412 . . . . 0.35 110.075 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1952 ' ' GLU . . . . . 0.587 ' O ' ' HG3' ' A' 1956 ' ' ARG . 23.0 mm-40 -64.58 -43.17 94.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.959 -0.564 . . . . 2.11 110.866 177.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1953 ' ' CYS . . . . . 0.521 ' O ' HG23 ' A' 1957 ' ' VAL . 70.9 m -57.1 -45.35 83.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.88 110.557 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.45 98.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.25 111.163 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1955 ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' 1951 ' ' ILE . 79.7 mtp180 -57.7 -43.79 85.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 3.21 110.923 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1956 ' ' ARG . . . . . 0.623 ' O ' ' HG2' ' A' 1960 ' ' LYS . 69.2 mtp180 -66.48 -42.17 87.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 3.16 111.033 -177.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1957 ' ' VAL . . . . . 0.771 ' HB ' HG21 ' A' 1868 ' ' VAL . 57.4 t -61.39 -40.5 86.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.779 0.323 . . . . 0.3 110.352 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 19.2 m -59.07 -38.48 79.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 1.13 110.776 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1959 ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' 1955 ' ' ARG . 74.9 mt-10 -67.82 -37.96 82.64 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.24 0.543 . . . . 1.86 110.449 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1960 ' ' LYS . . . . . 0.643 ' O ' HG23 ' A' 1964 ' ' VAL . 74.4 mmtt -62.15 -41.79 98.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.716 -0.674 . . . . 0.65 110.792 -178.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1961 ' ' VAL . . . . . 0.808 HG11 ' HB2' ' A' 1865 ' ' ALA . 46.8 t -53.17 -48.8 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 123.734 0.646 . . . . 0.27 111.639 -176.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 16.8 t -59.91 -36.32 76.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 1.3 110.482 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1963 ' ' HIS . . . . . 0.45 ' HB2' ' NH2' ' A' 1919 ' ' ARG . 35.7 m170 -76.25 -26.46 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.508 -0.314 . . . . 1.11 110.849 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1964 ' ' VAL . . . . . 0.718 HG22 ' HB3' ' A' 1919 ' ' ARG . 48.7 t -72.14 -45.14 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.666 -0.494 . . . . 0.35 109.666 174.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1965 ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' A' 1969 ' ' GLN . 73.9 mt -57.71 -47.7 81.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 0.35 110.531 176.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.49 70.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.71 -0.677 . . . . 0.4 111.503 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1967 ' ' ALA . . . . . 0.647 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -62.55 -44.59 95.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.509 -0.314 . . . . 0.46 110.63 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1968 ' ' LEU . . . . . 0.642 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -64.92 -40.11 94.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.051 -0.522 . . . . 0.5 110.248 176.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1969 ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' 1965 ' ' LEU . 31.3 mm-40 -60.62 -28.5 68.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 1.7 111.1 -178.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -75.65 -20.53 58.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.93 111.327 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -89.25 -20.12 46.97 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.771 -0.728 . . . . 2.0 112.398 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1972 ' ' ASN . . . . . 0.476 ' HB2' HE22 ' A' 1854 ' ' GLN . 59.6 t30 -84.05 123.26 29.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.839 -0.43 . . . . 5.01 109.839 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.664 -0.684 . . . . 7.5 109.942 -178.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 121.343 0.592 . . . . 0.74 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.73 -30.53 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.434 -0.803 . . . . 0.87 109.96 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 45.9 m -63.88 -36.91 85.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.578 -0.737 . . . . 0.97 110.876 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' 1835 ' ' ILE . 65.0 mt -66.96 -44.51 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.027 0.441 . . . . 0.32 110.228 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 31.7 m -61.91 -35.21 77.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.272 0.558 . . . . 0.61 110.416 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -66.08 -41.64 90.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.842 -0.617 . . . . 2.49 110.232 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' A' 1837 ' ' GLN . . . -62.0 -34.12 75.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.989 -0.551 . . . . 0.34 111.05 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . 0.51 ' HA ' HE22 ' A' 1921 ' ' GLN . 62.0 mt -64.96 -48.34 84.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.121 -0.49 . . . . 0.49 110.423 175.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -66.65 -40.38 88.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.72 111.832 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.2 pt20 -62.5 -34.08 76.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 1.0 110.996 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 98.1 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.66 0.266 . . . . 0.79 110.759 179.742 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' 1916 ' ' ILE . 57.2 t80 . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.805 0.336 . . . . 0.68 110.595 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.5 p -58.02 -33.45 46.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.068 -0.515 . . . . 0.79 112.07 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -69.25 -44.39 72.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.031 0.443 . . . . 1.71 110.514 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 80.2 m-85 -73.42 -33.4 64.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.106 -0.497 . . . . 1.07 110.555 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.735 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 30.8 tt0 -55.03 -57.23 12.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 0.99 110.505 173.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.53 ' O ' ' HG3' ' A' 1859 ' ' ARG . 10.5 p -62.98 -30.33 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.484 -0.78 . . . . 1.46 111.457 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 44.1 m -69.37 -49.1 58.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.739 0.304 . . . . 0.42 110.675 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.409 ' SD ' ' HA ' ' A' 1900 ' ' ALA . 67.9 mtp -65.13 -41.94 94.36 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.132 0.419 . . . . 0.71 112.132 -176.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.694 ' O ' ' HG3' ' A' 1862 ' ' LYS . 29.1 m -61.89 -32.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.456 -0.498 . . . . 0.29 110.809 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' 1855 ' ' THR . 96.4 mtt180 -66.98 -46.76 73.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.712 0.292 . . . . 3.02 110.503 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.487 ' HB ' HD21 ' A' 1896 ' ' LEU . 2.6 m -68.1 -31.92 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.374 -0.376 . . . . 0.35 110.79 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.548 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.97 -45.33 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.25 110.525 176.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' A' 1858 ' ' VAL . 84.1 mttt -63.75 -28.25 69.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.107 0.48 . . . . 1.31 110.183 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . 0.417 ' O ' HG12 ' A' 1866 ' ' VAL . . . -72.45 -38.3 68.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.41 111.37 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.739 HD11 HG22 ' A' 1961 ' ' VAL . 1.7 pp -76.96 -26.47 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.374 -0.53 . . . . 0.28 109.767 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.632 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -66.65 -38.86 87.74 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.809 -0.632 . . . . 0.2 111.395 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' 1863 ' ' ALA . 13.0 p -71.54 -30.46 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.694 -0.403 . . . . 0.73 110.254 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.562 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.7 m -67.27 -53.53 29.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.25 110.744 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.727 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.8 p -62.05 -37.21 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 0.28 111.157 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.418 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -68.97 -26.1 64.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.292 0.568 . . . . 0.91 109.838 179.156 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.6 tp10 -77.28 -38.4 50.86 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.696 -0.483 . . . . 0.57 109.696 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' 1867 ' ' THR . 83.0 mtp -64.16 -42.22 96.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 1.25 111.117 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' 1869 ' ' GLN . 11.6 p -62.54 -31.34 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.459 0.647 . . . . 0.59 110.57 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 98.1 m -81.09 -51.15 8.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.238 -0.892 . . . . 0.44 111.083 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 6.0 mmpt? -63.48 -25.96 68.5 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 112.538 0.57 . . . . 1.4 112.538 -175.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 33.5 p -61.43 -24.51 66.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.152 0.501 . . . . 1.11 111.307 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -80.5 -32.18 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.9 -0.591 . . . . 0.76 111.685 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 16.5 p -109.3 -45.73 3.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.281 0.562 . . . . 1.32 112.466 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 60.5 m -131.66 88.83 41.56 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.702 -0.681 . . . . 1.17 110.874 -168.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.99 -21.57 32.22 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.555 2.17 . . . . 0.67 112.842 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' 1880 ' ' GLU . 0.5 OUTLIER -86.01 -14.98 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 2.24 110.86 -178.155 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -80.88 -9.95 59.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 1.89 110.712 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.472 HD12 HD12 ' A' 1937 ' ' LEU . 98.4 mt -69.04 -33.74 74.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 0.34 111.22 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.17 -55.4 28.1 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.102 -0.57 . . . . 0.38 113.437 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' 1883 ' ' GLY . 16.8 Cg_endo -60.2 -30.85 92.17 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.329 2.019 . . . . 0.58 112.613 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.98 -41.37 51.5 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 121.183 -0.207 . . . . 0.37 110.553 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.75 72.98 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.59 -0.522 . . . . 0.36 109.59 173.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -65.9 -40.66 91.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.557 -0.747 . . . . 1.43 110.087 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -68.36 -44.12 75.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.264 -0.88 . . . . 1.07 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.576 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 33.7 tp -60.75 -40.26 91.8 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.437 -0.579 . . . . 0.25 109.437 176.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 55.8 m -65.33 -45.69 83.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.424 -0.807 . . . . 0.28 111.669 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 68.7 p -70.46 -50.87 33.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 1.17 111.528 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.449 ' HB3' HG22 ' A' 1864 ' ' ILE . 21.9 m-20 -58.02 -41.14 82.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.189 -0.459 . . . . 0.8 111.266 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.28 -41.27 98.98 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.858 -0.337 . . . . 0.31 110.437 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.95 -39.31 88.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.96 -0.638 . . . . 0.31 111.847 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -67.86 -43.48 79.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.411 0.148 . . . . 3.04 110.795 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.487 HD21 ' HB ' ' A' 1860 ' ' THR . 8.9 mt -60.25 -41.26 92.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.272 . . . . 0.86 111.263 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.35 -25.85 68.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.244 -0.435 . . . . 0.49 111.096 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 32.9 t -81.75 -36.1 28.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 1.38 110.071 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.401 ' O ' ' HD2' ' A' 1902 ' ' PRO . 19.6 mt-30 -77.51 -24.89 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.713 -0.676 . . . . 1.56 111.727 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . 0.409 ' HA ' ' SD ' ' A' 1857 ' ' MET . . . -65.3 -36.22 83.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.264 -0.425 . . . . 0.34 112.119 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.687 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 85.4 mttt -62.97 -53.99 50.59 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 112.1 0.408 . . . . 2.27 112.1 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.687 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 34.8 Cg_exo -61.07 -29.74 88.05 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.155 1.903 . . . . 0.6 112.302 176.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -69.05 -47.37 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.821 0.343 . . . . 0.39 110.634 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.86 94.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.46 111.446 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' 1902 ' ' PRO . 8.2 p -76.01 -25.2 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.395 . . . . 1.26 111.696 -178.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.63 -13.51 60.05 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.237 0.541 . . . . 0.64 110.687 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -76.57 143.63 40.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.565 -0.743 . . . . 0.85 110.44 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . 0.429 ' H ' ' CD ' ' A' 1908 ' ' GLU . 0.0 OUTLIER -90.02 7.69 36.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.786 -0.643 . . . . 2.67 110.552 -177.237 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.481 ' HB3' HG12 ' A' 1912 ' ' ILE . 50.0 t-20 -143.35 129.01 19.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.729 -0.669 . . . . 2.18 109.544 -176.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.3 -41.27 96.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 2.24 110.121 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.618 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.0 OUTLIER -61.5 -25.1 67.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.41 -0.359 . . . . 2.49 111.464 179.711 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.481 HG12 ' HB3' ' A' 1909 ' ' ASN . 46.5 mm -80.15 -47.23 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.58 0.228 . . . . 0.89 110.504 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.94 96.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.555 -0.831 . . . . 0.51 111.71 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . 0.5 ' HA ' ' CD ' ' A' 1917 ' ' LYS . . . -65.58 -26.13 67.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.228 0.537 . . . . 0.46 110.58 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.618 ' HB2' ' O ' ' A' 1911 ' ' GLU . 2.1 t-80 -71.96 -39.22 69.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 1.62 109.814 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' 1850 ' ' PHE . 88.8 mt -68.14 -55.03 17.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.627 -0.715 . . . . 0.4 111.083 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' 1921 ' ' GLN . 19.2 ptmt -58.14 -38.58 76.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 1.36 111.334 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' 1922 ' ' GLU . 20.9 t-80 -70.36 -28.57 65.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.611 -0.268 . . . . 1.91 110.772 -177.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.662 ' HB3' HG22 ' A' 1964 ' ' VAL . 52.2 mmt-85 -74.65 -33.13 62.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.847 0.356 . . . . 2.55 110.461 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 13.9 t -71.22 -27.16 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.319 -0.623 . . . . 0.35 109.319 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' 1917 ' ' LYS . 24.9 mm-40 -65.56 -42.46 91.83 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.947 -0.57 . . . . 1.22 109.465 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' 1918 ' ' HIS . 39.3 mm-40 -52.51 -50.56 62.54 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.749 -0.66 . . . . 1.49 109.686 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' 1923 ' ' LEU . 16.9 mt -61.98 -40.69 96.48 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.135 -0.939 . . . . 0.67 111.111 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . 0.404 ' C ' HD11 ' A' 1835 ' ' ILE . . . -55.46 -49.48 64.44 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.015 -0.612 . . . . 0.64 112.314 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -63.78 -40.21 96.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.857 0.36 . . . . 0.69 110.66 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.29 -51.48 13.2 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.806 -0.711 . . . . 0.25 112.107 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.576 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 35.0 t -53.87 -49.04 69.37 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.857 0.463 . . . . 1.22 110.628 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.8 t -55.62 -46.89 77.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.52 -0.764 . . . . 1.03 110.707 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.17 89.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 0.28 110.97 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.583 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -62.93 -47.84 81.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.476 -0.329 . . . . 0.28 110.603 -177.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 23.7 m -68.99 -35.67 70.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.732 -0.387 . . . . 0.26 111.663 -175.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 15.1 t -72.66 -30.34 64.19 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.421 -0.511 . . . . 0.8 110.38 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -69.82 -41.35 75.09 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 110.297 -0.26 . . . . 1.27 110.297 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.28 91.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.46 -0.336 . . . . 0.3 110.57 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.73 -52.08 55.12 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.702 -0.761 . . . . 0.4 111.668 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.09 -26.75 66.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.715 0.293 . . . . 0.5 111.601 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.472 HD12 HD12 ' A' 1882 ' ' LEU . 2.8 tm? -74.32 -37.31 63.63 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.823 -0.436 . . . . 0.41 109.823 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -69.4 -26.13 64.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.97 0.414 . . . . 1.06 111.108 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 72.7 m -67.74 -30.58 70.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.985 -0.552 . . . . 1.43 110.523 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.1 m -150.25 78.35 7.9 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.207 -0.451 . . . . 0.8 110.036 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.98 -15.52 27.93 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.384 2.723 . . . . 0.69 112.593 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 47.6 t -82.85 -20.82 34.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.524 -0.762 . . . . 1.54 111.506 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 24.5 t70 -73.76 108.67 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.131 0.491 . . . . 1.16 110.858 -174.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 13.0 m -65.79 -35.87 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.662 -0.699 . . . . 1.33 112.133 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.447 ' O ' ' HG3' ' A' 1949 ' ' GLU . 48.9 t80 -63.08 -48.45 78.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.734 -0.212 . . . . 1.91 111.117 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 57.3 m -59.19 -42.47 90.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.02 0.438 . . . . 0.6 110.621 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.449 ' O ' HG13 ' A' 1951 ' ' ILE . 38.7 ttpt -64.09 -40.14 95.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.851 -0.613 . . . . 1.2 110.324 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.77 -42.55 97.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.963 -0.562 . . . . 2.67 110.824 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 1945 ' ' TYR . 45.0 mt-10 -61.76 -39.91 93.31 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.338 -0.392 . . . . 1.53 110.218 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.64 -41.74 99.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.31 110.527 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' 1947 ' ' LYS . 83.9 mt -60.86 -42.63 93.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.926 -0.398 . . . . 0.35 109.926 176.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' A' 1956 ' ' ARG . 62.8 mm-40 -60.51 -49.61 76.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.17 -0.468 . . . . 2.11 110.231 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.585 ' O ' HG23 ' A' 1957 ' ' VAL . 72.3 m -57.27 -46.38 83.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.919 -0.582 . . . . 0.88 111.047 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -58.47 -45.01 89.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.979 0.418 . . . . 0.25 111.028 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' 1959 ' ' GLU . 99.5 mtt180 -59.22 -47.63 84.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.045 -0.525 . . . . 3.21 110.397 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' 1952 ' ' GLU . 95.9 mtt180 -58.35 -42.22 86.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 3.16 111.026 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.727 ' HB ' HG21 ' A' 1868 ' ' VAL . 62.0 t -63.07 -53.79 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.3 110.57 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.1 t -58.33 -37.91 76.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 1.13 110.915 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' 1955 ' ' ARG . 50.3 mt-10 -62.68 -45.16 94.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.165 0.507 . . . . 1.86 110.783 177.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.558 ' O ' HG23 ' A' 1964 ' ' VAL . 31.6 mmtp -69.59 -27.31 64.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.65 111.86 -175.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.739 HG22 HD11 ' A' 1864 ' ' ILE . 42.4 t -54.23 -44.13 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 120.893 0.378 . . . . 0.27 110.229 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 35.3 t -61.1 -39.47 90.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.742 -0.663 . . . . 1.3 110.495 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.412 ' HD2' ' HA ' ' A' 1960 ' ' LYS . 94.3 m-70 -66.8 -38.3 86.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 1.11 110.292 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.662 HG22 ' HB3' ' A' 1919 ' ' ARG . 48.5 t -63.84 -52.58 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.35 110.191 177.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 86.6 mt -54.34 -48.82 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.732 -0.667 . . . . 0.35 111.382 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.47 -24.38 67.6 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.143 0.424 . . . . 0.4 112.143 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -70.26 -25.2 63.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.694 0.283 . . . . 0.46 111.366 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.735 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.1 mm? -73.67 -43.35 59.63 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.853 0.686 . . . . 0.5 112.853 -174.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -65.85 -14.75 62.04 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.458 0.54 . . . . 1.7 112.458 -172.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.711 0.291 . . . . 0.93 111.495 179.757 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.3 p . . . . . 0 C--O 1.233 0.189 0 CA-C-O 121.117 0.484 . . . . 0.74 110.143 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.8 -47.96 70.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.814 -0.63 . . . . 0.87 110.337 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.8 m -54.94 -41.26 70.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 0.97 110.627 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.428 ' O ' HG13 ' A' 1835 ' ' ILE . 71.6 mt -63.05 -48.29 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.32 110.425 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 63.2 m -61.1 -44.62 97.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 0.61 111.624 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -67.37 -34.31 77.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.949 0.404 . . . . 2.49 110.518 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -64.62 -27.94 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 0.34 110.953 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . 0.446 ' HA ' HE22 ' A' 1921 ' ' GLN . 72.5 mt -70.84 -47.64 61.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.997 -0.547 . . . . 0.49 110.317 175.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -55.92 -51.56 67.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.808 -0.633 . . . . 0.72 112.064 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -55.86 -35.98 67.07 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.411 0.523 . . . . 1.0 112.411 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.473 ' HB2' ' NE2' ' A' 1921 ' ' GLN . 94.5 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.728 0.299 . . . . 0.79 111.329 -175.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 78.3 t80 . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 110.568 -0.16 . . . . 0.68 110.568 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 10.6 p -59.14 -33.72 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.464 -0.334 . . . . 0.79 111.288 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.16 -46.88 75.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.199 0.523 . . . . 1.71 110.4 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -73.68 -36.65 65.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.98 -0.555 . . . . 1.07 110.879 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.658 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.8 tt0 -54.78 -55.41 30.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.334 -0.393 . . . . 0.99 110.67 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 13.2 p -61.57 -39.12 90.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.051 -0.522 . . . . 1.46 111.232 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 28.2 m -69.57 -34.26 73.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.029 0.442 . . . . 0.42 110.696 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 82.5 mtp -75.2 -47.32 28.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.639 -0.255 . . . . 0.71 111.425 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -62.53 -36.91 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.47 -0.492 . . . . 0.29 110.788 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -63.28 -48.15 79.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 3.02 110.815 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.472 ' O ' HG23 ' A' 1864 ' ' ILE . 44.8 m -67.05 -38.16 85.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.959 -0.564 . . . . 0.35 111.062 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.577 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.37 -48.52 77.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.664 0.268 . . . . 0.25 110.643 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' 1858 ' ' VAL . 55.4 mtmt -62.11 -26.06 68.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.729 0.299 . . . . 1.31 111.017 175.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -73.67 -46.03 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.568 -0.287 . . . . 0.41 110.904 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.683 HD11 HG22 ' A' 1961 ' ' VAL . 1.6 pp -68.81 -25.56 30.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.35 . . . . 0.28 110.084 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.669 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -64.09 -37.06 86.09 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 115.978 -0.556 . . . . 0.2 110.621 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 59.2 t -65.86 -37.43 79.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 0.73 109.852 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 60.6 m -64.01 -46.15 85.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 0.25 111.075 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.865 HG21 ' HB ' ' A' 1957 ' ' VAL . 7.1 p -74.12 -29.78 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.723 0.297 . . . . 0.28 111.224 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -73.25 -26.71 61.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.331 0.586 . . . . 0.91 109.445 176.402 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.1 tp10 -76.46 -33.13 58.72 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.436 -0.579 . . . . 0.57 109.436 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.532 ' SD ' HD22 ' A' 1882 ' ' LEU . 3.7 mmt -53.52 -56.04 20.36 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.206 -0.452 . . . . 1.25 111.448 176.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.656 HG23 HG23 ' A' 1951 ' ' ILE . 11.1 p -60.15 -34.95 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.502 0.667 . . . . 0.59 110.968 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 53.9 m -75.09 -48.38 24.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.18 -0.918 . . . . 0.44 111.095 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.867 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -70.58 -28.1 64.62 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 116.351 -0.386 . . . . 1.4 111.662 -177.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.408 ' HA ' HD11 ' A' 1882 ' ' LEU . 22.7 t -61.89 -27.37 68.76 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.131 0.491 . . . . 1.11 110.345 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -81.61 -35.46 30.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.705 -0.679 . . . . 0.76 111.71 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 24.0 p -109.59 -35.63 6.17 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.878 1.066 . . . . 1.32 113.878 -171.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . 0.426 ' HA ' ' HD2' ' A' 1879 ' ' PRO . 75.2 m -148.62 89.16 5.11 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.802 0.334 . . . . 1.17 111.363 -169.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' 1878 ' ' SER . 34.8 Cg_endo -64.36 -24.97 64.09 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.973 2.448 . . . . 0.67 112.782 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.2 -22.8 62.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 2.24 111.106 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.664 ' O ' ' HG ' ' A' 1885 ' ' LEU . 70.6 mm-40 -75.05 -21.89 58.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.432 -0.349 . . . . 1.89 110.754 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.532 HD22 ' SD ' ' A' 1871 ' ' MET . 90.2 mt -66.07 -35.83 81.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.521 . . . . 0.34 111.746 -173.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -58.58 -55.14 32.42 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.741 -0.743 . . . . 0.38 112.998 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' 1881 ' ' GLU . 49.2 Cg_exo -59.34 -39.06 80.78 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.679 2.253 . . . . 0.58 112.75 174.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' 1881 ' ' GLU . 68.6 mt -65.36 -41.08 94.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 110.306 -0.257 . . . . 0.37 110.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -55.34 -36.36 66.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.36 109.881 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -73.66 -43.76 58.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.042 -0.527 . . . . 1.43 111.475 -176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.11 -37.11 80.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.847 0.356 . . . . 1.07 110.439 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.425 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 45.5 tp -64.31 -32.61 74.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.25 109.863 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 53.5 m -72.91 -49.54 28.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 0.28 111.459 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 81.0 p -70.55 -48.02 57.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.131 0.491 . . . . 1.17 111.007 -172.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.436 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.0 OUTLIER -64.94 -29.3 70.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 0.8 111.367 178.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 41.4 t80 -64.07 -42.81 96.85 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.889 -0.412 . . . . 0.31 109.889 172.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.24 -32.84 57.52 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.828 -0.624 . . . . 0.31 112.361 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -63.89 -53.88 43.5 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.369 -0.604 . . . . 3.04 109.369 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' 1861 ' ' ALA . 83.2 mt -57.26 -44.61 84.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.303 -0.862 . . . . 0.86 111.058 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -60.19 -40.66 90.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.58 -0.736 . . . . 0.49 111.801 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 18.3 t -76.81 -38.07 54.58 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.955 -0.298 . . . . 1.38 110.72 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.55 ' O ' ' HD2' ' A' 1902 ' ' PRO . 26.2 mt-30 -68.22 -25.27 65.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.555 -0.293 . . . . 1.56 111.645 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.68 -25.64 64.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.34 111.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.839 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 1.5 mmmm -62.06 -55.55 39.85 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.097 -0.501 . . . . 2.27 111.297 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.839 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 11.1 Cg_exo -72.94 -29.66 11.87 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.2 1.933 . . . . 0.6 112.386 175.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.74 89.1 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.888 0.375 . . . . 0.39 110.71 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.4 90.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 0.46 111.533 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' 1902 ' ' PRO . 10.0 p -75.73 -24.8 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.827 0.346 . . . . 1.26 111.426 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.43 -10.76 58.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.025 0.44 . . . . 0.64 111.072 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -79.22 155.39 28.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.913 -0.585 . . . . 0.85 110.693 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -71.24 -66.66 0.59 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.052 0.453 . . . . 2.67 110.936 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.899 ' HB2' HG12 ' A' 1912 ' ' ILE . 42.2 m-80 -84.93 150.52 24.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.94 -0.573 . . . . 2.18 110.95 -176.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -63.54 -38.72 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.799 -0.445 . . . . 2.24 109.799 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.7 -40.75 66.28 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.269 -0.423 . . . . 2.49 110.987 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.899 HG12 ' HB2' ' A' 1909 ' ' ASN . 37.6 mm -62.99 -51.18 75.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.223 -0.444 . . . . 0.89 110.167 -177.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.73 -39.79 95.43 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.757 -0.735 . . . . 0.51 112.018 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.24 -40.7 94.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.936 0.398 . . . . 0.46 110.673 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' 1919 ' ' ARG . 30.8 m-70 -64.45 -47.51 78.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.208 -0.451 . . . . 1.62 110.539 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' 1912 ' ' ILE . 93.7 mt -56.36 -53.87 34.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.558 0.218 . . . . 0.4 111.328 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.656 ' O ' ' HG2' ' A' 1921 ' ' GLN . 16.7 ptpt -60.32 -38.97 85.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.402 -0.363 . . . . 1.36 110.93 -177.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 60.3 m170 -70.5 -30.12 66.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.699 0.285 . . . . 1.91 111.224 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.789 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 21.8 mmt85 -71.99 -31.48 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.415 -0.357 . . . . 2.55 110.658 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' 1897 ' ' ALA . 23.3 t -74.3 -27.52 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.717 -0.475 . . . . 0.35 109.717 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.656 ' HG2' ' O ' ' A' 1917 ' ' LYS . 19.1 mm-40 -63.17 -38.88 92.9 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.182 -0.673 . . . . 1.22 109.182 172.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.921 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 13.6 mm-40 -56.02 -51.36 68.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.091 -0.959 . . . . 1.49 110.007 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.39 -41.24 93.41 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.316 -0.857 . . . . 0.67 110.823 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.44 -51.79 49.22 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.928 -0.653 . . . . 0.64 112.111 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -60.98 -46.23 91.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.967 0.413 . . . . 0.69 110.581 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.6 -50.68 41.3 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.729 -0.748 . . . . 0.25 112.637 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.425 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 27.4 t -56.7 -49.86 73.86 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.384 0.274 . . . . 1.22 110.713 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 20.3 m -50.9 -51.23 53.94 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.081 0.467 . . . . 1.03 110.622 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.26 -44.7 90.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.669 . . . . 0.28 111.469 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.53 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.83 -53.22 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.28 110.687 -177.08 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 22.7 m -66.35 -29.45 46.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.26 111.111 -176.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 90.5 m -72.31 -43.32 64.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.99 -0.55 . . . . 0.8 110.825 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.906 ' HE3' HG23 ' A' 1946 ' ' THR . 36.4 tptt -68.93 -32.74 72.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.358 -0.383 . . . . 1.27 110.548 -176.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.08 87.19 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.289 -0.414 . . . . 0.3 111.495 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.46 93.88 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.769 . . . . 0.4 111.916 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.33 -31.91 62.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 0.5 110.86 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' 1937 ' ' LEU . 2.4 tm? -71.87 -32.35 67.39 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.767 -0.457 . . . . 0.41 109.767 -178.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -70.27 -25.64 63.45 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.662 -0.415 . . . . 1.06 110.749 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 75.7 m -76.06 -18.42 59.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 1.43 110.629 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.8 m -155.14 73.06 5.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.438 -0.578 . . . . 0.8 109.438 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.36 -17.48 60.26 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.905 2.404 . . . . 0.69 112.786 -174.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 19.4 m -91.08 -12.21 36.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.804 -0.634 . . . . 1.54 110.795 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.68 113.92 13.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 1.16 111.296 -174.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.5 m -68.16 -35.3 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 1.33 112.233 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.51 -54.65 44.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.851 0.358 . . . . 1.91 110.728 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.906 HG23 ' HE3' ' A' 1933 ' ' LYS . 26.4 m -62.05 -41.56 98.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.125 -0.489 . . . . 0.6 110.76 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.426 ' O ' HG13 ' A' 1951 ' ' ILE . 39.3 ttpt -63.24 -44.79 94.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.58 -0.737 . . . . 1.2 110.819 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.502 ' HE3' ' OE1' ' A' 1952 ' ' GLU . 27.5 ttpt -52.73 -50.58 63.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.039 -0.528 . . . . 2.67 111.138 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.488 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 17.4 mt-10 -64.86 -33.14 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.99 -0.55 . . . . 1.53 111.604 -175.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.54 -39.83 77.23 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.524 -0.547 . . . . 0.31 109.524 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.656 HG23 HG23 ' A' 1872 ' ' VAL . 82.6 mt -60.7 -38.67 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.892 -0.594 . . . . 0.35 109.701 174.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' A' 1956 ' ' ARG . 43.8 mt-10 -65.86 -47.16 75.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 2.11 110.413 174.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.531 ' O ' HG23 ' A' 1957 ' ' VAL . 98.6 m -56.41 -41.11 75.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.37 -0.377 . . . . 0.88 110.764 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.22 97.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 0.25 111.721 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' 1952 ' ' GLU . 14.0 ptm180 -74.42 -22.4 59.16 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.66 -0.416 . . . . 3.21 110.804 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' 1952 ' ' GLU . 79.3 mtt180 -72.76 -49.79 28.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 3.16 110.443 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.865 ' HB ' HG21 ' A' 1868 ' ' VAL . 80.5 t -62.55 -43.72 98.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.079 -0.51 . . . . 0.3 111.449 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 6.0 p -61.57 -31.62 71.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.334 . . . . 1.13 111.288 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' 1955 ' ' ARG . 58.3 mm-40 -70.37 -35.11 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.166 0.508 . . . . 1.86 110.857 176.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.921 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.4 mmtt -69.23 -36.85 77.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.99 -0.55 . . . . 0.65 110.46 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.683 HG22 HD11 ' A' 1864 ' ' ILE . 59.5 t -53.43 -52.24 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 O-C-N 123.46 0.475 . . . . 0.27 111.214 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.53 ' HA ' HD12 ' A' 1965 ' ' LEU . 15.7 m -60.18 -37.29 79.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 1.3 110.944 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.789 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 36.1 m80 -65.83 -35.77 81.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 1.11 110.787 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.631 HG22 ' HB3' ' A' 1919 ' ' ARG . 54.4 t -69.65 -45.97 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.939 0.399 . . . . 0.35 110.161 177.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' 1969 ' ' GLN . 61.8 mt -55.35 -47.85 75.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.592 . . . . 0.35 110.722 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -65.3 -25.85 67.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.8 -0.636 . . . . 0.4 111.721 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . 0.601 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -68.51 -39.98 81.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.46 110.32 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.658 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.3 mm? -64.71 -37.37 87.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.5 110.399 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' 1965 ' ' LEU . 80.1 mm-40 -67.04 -14.97 63.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.884 -0.598 . . . . 1.7 111.38 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 CA-C-O 121.028 0.442 . . . . 0.93 110.833 177.86 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 120.853 0.358 . . . . 0.74 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.64 -45.15 84.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.411 -0.359 . . . . 0.87 110.446 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.0 m -61.31 -37.82 84.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.97 110.411 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' 1835 ' ' ILE . 68.2 mt -65.15 -42.21 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.32 110.197 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 31.2 m -63.18 -47.95 80.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.997 -0.547 . . . . 0.61 111.058 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.14 -39.97 88.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.118 0.485 . . . . 2.49 110.458 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.533 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -60.24 -36.28 77.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.571 -0.741 . . . . 0.34 111.382 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . 0.633 ' HA ' HE22 ' A' 1921 ' ' GLN . 43.3 mt -67.19 -51.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.073 0.463 . . . . 0.49 110.493 176.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . 0.485 HD22 ' N ' ' A' 1836 ' ' ASN . 0.9 OUTLIER -64.83 -37.54 87.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.75 -0.659 . . . . 0.72 111.868 -172.167 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -64.14 -35.87 82.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.616 0.246 . . . . 1.0 111.35 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.79 110.875 179.238 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 88.6 t80 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.896 0.379 . . . . 0.68 110.92 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -61.62 -35.55 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.95 -0.568 . . . . 0.79 111.403 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.03 -50.98 52.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.968 0.413 . . . . 1.71 110.147 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.481 ' CZ ' ' HB2' ' A' 1902 ' ' PRO . 49.4 m-85 -61.57 -37.07 82.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.605 . . . . 1.07 111.172 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.667 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.3 tt0 -61.69 -54.4 43.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.622 -0.263 . . . . 0.99 110.708 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 28.5 m -57.05 -34.81 68.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.488 . . . . 1.46 110.763 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 56.3 m -74.36 -49.36 23.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.305 -0.407 . . . . 0.42 111.307 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.12 -35.8 81.93 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 112.03 0.381 . . . . 0.71 112.03 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.742 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.3 m -64.81 -35.93 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.869 -0.733 . . . . 0.29 110.027 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -66.89 -47.08 72.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.804 0.335 . . . . 3.02 110.266 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.459 ' HB ' HD21 ' A' 1896 ' ' LEU . 4.4 m -63.37 -36.15 82.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.479 . . . . 0.35 110.691 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' 1864 ' ' ILE . . . -65.4 -45.17 85.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.25 110.894 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.742 ' HG3' ' O ' ' A' 1858 ' ' VAL . 82.5 mttt -62.61 -32.63 73.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 1.31 110.171 177.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.59 95.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.41 111.278 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.718 HD11 HG22 ' A' 1961 ' ' VAL . 1.3 pp -75.75 -27.27 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.189 -0.604 . . . . 0.28 109.871 177.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.827 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.42 -37.74 74.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.25 -0.432 . . . . 0.2 111.481 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.563 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.9 p -73.63 -24.39 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.33 0.586 . . . . 0.73 109.875 176.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.554 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.5 m -69.92 -53.56 17.37 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.877 -0.601 . . . . 0.25 110.389 174.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' 1865 ' ' ALA . 2.6 p -62.64 -37.68 79.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.488 -0.324 . . . . 0.28 111.47 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.563 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -64.43 -29.94 70.99 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.089 0.471 . . . . 0.91 109.795 178.201 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.86 -37.7 47.66 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 116.007 -0.542 . . . . 0.57 110.338 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.554 ' HG3' ' O ' ' A' 1867 ' ' THR . 86.9 mtp -63.66 -44.2 94.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.328 . . . . 1.25 110.94 -176.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' 1951 ' ' ILE . 7.8 p -62.61 -29.33 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.59 110.451 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 98.1 m -81.01 -55.12 4.99 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.104 -0.953 . . . . 0.44 111.085 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.455 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 6.8 mmpt? -59.0 -30.72 68.2 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.972 -0.558 . . . . 1.4 112.472 -174.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.409 ' OG ' HD22 ' A' 1950 ' ' LEU . 50.9 m -55.35 -23.98 26.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.127 0.489 . . . . 1.11 111.676 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -76.33 -39.74 53.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.001 -0.545 . . . . 0.76 111.529 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 41.6 p -109.48 -40.05 5.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.806 0.669 . . . . 1.32 112.806 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 69.0 m -133.35 95.65 18.01 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.202 -0.454 . . . . 1.17 110.975 -167.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -78.1 -18.09 13.06 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.564 2.176 . . . . 0.67 113.166 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.73 -14.28 35.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.813 -0.355 . . . . 2.24 110.872 -177.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -80.47 -10.74 59.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.033 0.444 . . . . 1.89 110.499 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.675 HD12 HD12 ' A' 1937 ' ' LEU . 96.1 mt -68.78 -37.72 79.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.995 -0.548 . . . . 0.34 111.08 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -60.87 -54.38 37.37 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-O 119.687 -0.507 . . . . 0.38 112.95 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.97 -41.73 62.2 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.82 2.347 . . . . 0.58 112.645 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 75.8 mt -69.84 -44.0 70.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.541 -0.299 . . . . 0.37 110.684 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -58.2 -32.42 68.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.087 0.47 . . . . 0.36 109.848 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -68.43 -47.08 68.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.685 . . . . 1.43 110.503 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -68.02 -44.66 76.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 1.07 110.737 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.49 ' HB2' HG21 ' A' 1867 ' ' THR . 48.0 tp -53.52 -40.15 65.2 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.374 0.607 . . . . 0.25 109.818 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 7.3 m -61.79 -54.23 45.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.89 -1.05 . . . . 0.28 111.71 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 19.6 m -70.9 -38.66 73.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.139 -0.482 . . . . 1.17 111.998 -173.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.466 ' HB3' HG22 ' A' 1864 ' ' ILE . 2.7 m-20 -69.39 -29.77 67.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.86 -0.336 . . . . 0.8 110.693 177.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . 0.422 ' CE2' HG23 ' A' 1831 ' ' ILE . 28.3 t80 -64.66 -46.07 84.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.899 -0.32 . . . . 0.31 110.141 173.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.96 -34.12 61.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.999 -0.619 . . . . 0.31 111.953 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 81.9 mtt180 -66.32 -48.78 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.188 -0.301 . . . . 3.04 110.188 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.459 HD21 ' HB ' ' A' 1860 ' ' THR . 12.6 mt -56.93 -48.94 77.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.279 -0.419 . . . . 0.86 111.325 176.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . 0.571 ' HA ' HG11 ' A' 1920 ' ' VAL . . . -62.41 -32.79 73.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.159 -0.473 . . . . 0.49 111.521 -177.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 35.1 t -72.64 -43.52 63.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.184 -0.462 . . . . 1.38 110.212 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.45 ' O ' ' HD2' ' A' 1902 ' ' PRO . 18.7 mt-30 -71.72 -26.04 62.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 1.56 111.686 -178.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.7 -27.32 65.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.379 -0.373 . . . . 0.34 111.867 -177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.786 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 56.8 mtpt -63.03 -57.32 21.74 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.462 -0.335 . . . . 2.27 111.327 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.786 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 16.1 Cg_exo -68.93 -29.7 27.53 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.954 1.769 . . . . 0.6 111.988 176.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.59 94.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 0.39 110.838 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -62.37 -44.4 96.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.73 -0.668 . . . . 0.46 111.488 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' 1902 ' ' PRO . 7.4 p -75.91 -24.54 16.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-O 120.725 0.298 . . . . 1.26 111.369 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -73.67 -13.44 60.99 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.901 0.382 . . . . 0.64 111.073 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -75.65 171.28 14.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.951 -0.568 . . . . 0.85 110.215 177.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -92.94 -2.82 55.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.361 0.6 . . . . 2.67 110.439 -177.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.902 ' ND2' ' HB ' ' A' 1912 ' ' ILE . 0.2 OUTLIER -147.31 162.56 38.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.44 -0.8 . . . . 2.18 111.093 -173.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -84.45 -34.95 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.141 -0.481 . . . . 2.24 110.419 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -49.22 78.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.779 0.323 . . . . 2.49 111.285 -177.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.902 ' HB ' ' ND2' ' A' 1909 ' ' ASN . 22.5 mm -62.55 -42.85 97.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.015 -0.539 . . . . 0.89 110.475 178.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -64.18 -44.32 95.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.637 -0.792 . . . . 0.51 111.965 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . 0.688 ' HA ' ' HE3' ' A' 1917 ' ' LYS . . . -61.02 -40.25 92.83 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 120.907 0.384 . . . . 0.46 110.435 177.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.417 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.6 t-160 -61.27 -34.98 76.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.606 -0.725 . . . . 1.62 110.266 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' 1920 ' ' VAL . 91.2 mt -68.99 -54.67 18.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.021 0.439 . . . . 0.4 110.451 175.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.688 ' HE3' ' HA ' ' A' 1914 ' ' ALA . 51.5 mtmt -56.29 -46.87 79.57 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.483 -0.78 . . . . 1.36 111.019 -177.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -63.9 -31.79 73.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 1.91 111.858 -177.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.531 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 22.0 mmt180 -78.23 -24.22 47.08 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.832 -0.347 . . . . 2.55 111.225 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.571 HG11 ' HA ' ' A' 1897 ' ' ALA . 56.0 t -73.74 -30.65 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.365 0.602 . . . . 0.35 109.461 173.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.633 HE22 ' HA ' ' A' 1835 ' ' ILE . 19.7 mm-40 -62.68 -25.25 68.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.835 -0.621 . . . . 1.22 109.831 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.705 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 6.5 mm-40 -61.85 -47.46 84.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.51 -0.768 . . . . 1.49 110.815 177.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.668 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 0.9 OUTLIER -70.8 -27.57 63.99 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 108.635 -0.876 . . . . 0.67 108.635 175.071 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . 0.44 ' O ' HD11 ' A' 1835 ' ' ILE . . . -56.28 -36.56 69.52 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.777 -0.725 . . . . 0.64 111.948 177.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -93.44 -46.9 7.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.746 0.308 . . . . 0.69 110.437 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -65.5 -52.89 35.52 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.226 -0.511 . . . . 0.25 113.145 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.668 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 93.1 m -65.82 -33.9 76.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.697 0.248 . . . . 1.22 110.812 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 32.1 t -58.32 -50.86 72.14 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.423 -0.584 . . . . 1.03 109.423 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.44 98.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.419 -0.81 . . . . 0.28 110.644 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.721 HD12 HG21 ' A' 1957 ' ' VAL . 0.5 OUTLIER -58.71 -50.13 75.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.023 -0.535 . . . . 0.28 111.261 -177.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 18.8 m -69.3 -26.26 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.302 . . . . 0.26 110.799 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.5 m -70.67 -46.11 63.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 0.8 110.377 176.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -61.66 -37.24 83.33 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.23 -0.441 . . . . 1.27 110.746 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.12 84.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.693 -0.231 . . . . 0.3 111.03 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -58.91 -40.75 95.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.619 -0.8 . . . . 0.4 111.995 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.69 71.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.884 0.373 . . . . 0.5 111.084 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.675 HD12 HD12 ' A' 1882 ' ' LEU . 3.3 tm? -70.04 -38.56 75.89 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.599 -0.519 . . . . 0.41 109.599 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -71.81 -25.05 61.84 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.218 0.533 . . . . 1.06 110.989 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 48.7 t -71.92 -24.53 61.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.728 -0.669 . . . . 1.43 110.147 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' 1942 ' ' SER . 61.3 m -152.15 72.84 7.76 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.974 -0.38 . . . . 0.8 109.974 177.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.16 11.7 0.16 Allowed 'Trans proline' 0 N--CA 1.48 0.711 0 C-N-CA 123.385 2.723 . . . . 0.69 113.568 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' 1940 ' ' SER . 50.5 m -114.81 4.5 14.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.228 -0.442 . . . . 1.54 111.117 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . 0.413 ' OD1' ' HB ' ' A' 1946 ' ' THR . 0.7 OUTLIER -85.06 168.2 15.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.741 -0.466 . . . . 1.16 109.741 178.216 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 96.3 t -117.09 -42.35 2.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.334 -0.394 . . . . 1.33 110.605 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.46 ' O ' ' HG3' ' A' 1949 ' ' GLU . 33.6 t80 -63.83 -51.47 64.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.013 -0.539 . . . . 1.91 111.705 -174.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.413 ' HB ' ' OD1' ' A' 1943 ' ' ASP . 98.2 m -66.09 -39.75 90.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.139 -0.482 . . . . 0.6 110.409 -176.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -61.6 -43.99 97.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.733 -0.667 . . . . 1.2 110.159 175.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' 1952 ' ' GLU . 54.3 tttm -60.7 -41.54 95.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 2.67 110.569 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' 1945 ' ' TYR . 32.5 mt-10 -58.75 -38.01 77.48 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.531 -0.304 . . . . 1.53 110.841 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.494 ' HG ' HD23 ' A' 1930 ' ' LEU . 8.9 tt -67.59 -42.04 83.11 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.034 -0.358 . . . . 0.31 110.034 178.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.62 ' O ' ' HG3' ' A' 1955 ' ' ARG . 97.6 mt -56.48 -49.52 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.35 109.987 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' 1948 ' ' LYS . 61.0 mm-40 -63.42 -42.18 98.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 2.11 110.539 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.493 ' O ' HG23 ' A' 1957 ' ' VAL . 34.2 t -62.37 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 0.88 110.613 -178.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.33 87.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 0.25 110.658 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' 1951 ' ' ILE . 78.5 mtp180 -58.93 -44.49 91.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 3.21 110.522 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' 1960 ' ' LYS . 23.9 mtm180 -69.39 -39.31 78.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 3.16 110.975 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.721 HG21 HD12 ' A' 1930 ' ' LEU . 97.4 t -64.01 -42.68 96.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.479 -0.328 . . . . 0.3 110.84 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 57.4 m -57.42 -36.75 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 1.13 110.87 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 1955 ' ' ARG . 43.3 mt-10 -67.95 -31.38 71.08 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.134 0.493 . . . . 1.86 110.837 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.705 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.3 mmtt -70.82 -37.17 73.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 0.65 110.086 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.827 HG11 ' HB2' ' A' 1865 ' ' ALA . 20.4 t -59.77 -46.71 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.263 -0.426 . . . . 0.27 110.36 177.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 18.2 m -56.39 -35.42 67.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.732 -0.667 . . . . 1.3 110.743 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.531 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 29.3 m80 -72.97 -41.83 63.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 1.11 111.518 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' 1960 ' ' LYS . 91.1 t -62.08 -48.88 86.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.854 0.359 . . . . 0.35 110.43 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.19 -42.99 87.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.911 -0.586 . . . . 0.35 110.723 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.36 -37.74 83.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.4 111.187 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.73 96.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.431 . . . . 0.46 111.028 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.667 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.8 mm? -65.31 -48.43 73.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.5 110.682 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . 0.691 ' N ' HE21 ' A' 1969 ' ' GLN . 0.0 OUTLIER -60.87 -24.98 66.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.926 -0.579 . . . . 1.7 111.259 -176.349 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.93 110.804 178.874 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 121.158 0.504 . . . . 0.74 109.973 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.98 -34.7 76.65 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.566 -0.743 . . . . 0.87 110.51 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.6 m -65.34 -36.73 84.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.746 -0.661 . . . . 0.97 110.88 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.406 ' O ' HG13 ' A' 1835 ' ' ILE . 52.6 mt -67.44 -37.27 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.32 110.33 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 12.4 m -65.03 -36.11 83.32 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.074 0.464 . . . . 0.61 110.515 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.64 -40.03 95.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 2.49 110.171 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.416 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -59.7 -42.46 93.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.615 -0.72 . . . . 0.34 111.095 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . 0.446 HD11 ' O ' ' A' 1924 ' ' GLY . 44.6 mt -61.36 -40.56 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.29 0.567 . . . . 0.49 110.479 178.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -69.37 -48.71 60.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.025 -0.534 . . . . 0.72 111.644 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . 0.416 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 15.7 pt20 -62.5 -34.22 76.44 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.938 0.347 . . . . 1.0 111.938 -175.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.757 0.313 . . . . 0.79 111.103 -178.066 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.572 ' HE1' HD11 ' A' 1916 ' ' ILE . 73.0 t80 . . . . . 0 CA--C 1.524 -0.057 0 CA-C-O 120.762 0.315 . . . . 0.68 110.47 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 5.7 p -55.56 -38.21 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.796 -0.638 . . . . 0.79 111.475 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.48 -55.93 15.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.329 . . . . 1.71 110.782 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -63.71 -34.44 77.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 1.07 110.972 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.622 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 51.4 tt0 -59.63 -57.23 13.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.213 -0.449 . . . . 0.99 110.72 176.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 56.9 m -58.53 -39.84 81.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.915 -0.584 . . . . 1.46 111.14 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 23.8 m -65.84 -46.69 77.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.834 0.35 . . . . 0.42 110.895 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 67.8 mtp -66.53 -43.46 85.1 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.183 0.438 . . . . 0.71 112.183 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.678 ' O ' ' HG3' ' A' 1862 ' ' LYS . 24.4 m -64.12 -33.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 119.964 -0.695 . . . . 0.29 110.473 -178.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -62.01 -51.42 68.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 3.02 110.451 175.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.525 ' O ' HG23 ' A' 1864 ' ' ILE . 21.5 m -64.7 -35.77 82.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 0.35 111.099 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.536 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.66 -47.51 80.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 0.25 110.829 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.0 mttt -65.28 -29.23 69.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.943 0.402 . . . . 1.31 110.282 176.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' 1866 ' ' VAL . . . -67.59 -44.36 78.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.41 110.993 176.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.58 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -74.65 -23.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.514 -0.474 . . . . 0.28 110.035 178.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.756 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.59 -38.72 80.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.168 -0.469 . . . . 0.2 111.361 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.411 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.7 p -75.01 -25.11 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.45 -0.5 . . . . 0.73 110.01 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.557 ' O ' ' HG3' ' A' 1871 ' ' MET . 91.8 m -64.78 -56.52 13.06 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.058 -0.519 . . . . 0.25 110.792 173.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.677 HG23 HD11 ' A' 1930 ' ' LEU . 2.4 p -60.59 -39.51 81.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.455 -0.339 . . . . 0.28 111.378 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.411 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -67.76 -25.41 65.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.49 . . . . 0.91 110.012 178.737 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -75.62 -38.3 59.09 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.461 -0.57 . . . . 0.57 109.461 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.557 ' HG3' ' O ' ' A' 1867 ' ' THR . 85.4 mtp -62.24 -45.43 93.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.866 -0.606 . . . . 1.25 111.364 -175.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' 1954 ' ' ALA . 7.1 p -60.17 -43.85 94.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.168 0.509 . . . . 0.59 110.855 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 21.0 m -69.57 -43.01 73.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.511 -0.768 . . . . 0.44 111.232 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.564 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 5.3 mmpt? -68.95 -32.41 71.98 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.61 -0.268 . . . . 1.4 111.427 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 26.0 t -60.49 -24.36 65.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.882 0.372 . . . . 1.11 110.483 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -81.52 -36.09 29.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.895 -0.593 . . . . 0.76 111.826 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 25.8 p -107.62 -36.99 6.29 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.833 0.679 . . . . 1.32 112.833 -172.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 72.0 m -142.01 88.47 9.27 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.993 -0.549 . . . . 1.17 110.116 -171.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.18 -29.29 55.79 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.507 2.138 . . . . 0.67 113.214 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.8 -18.62 53.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.963 0.411 . . . . 2.24 110.499 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.39 -11.19 60.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.093 -0.503 . . . . 1.89 110.511 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.669 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 96.4 mt -69.3 -28.4 66.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.766 -0.652 . . . . 0.34 110.861 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.62 -55.89 24.56 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.774 -0.727 . . . . 0.38 113.103 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' 1883 ' ' GLY . 12.9 Cg_endo -59.14 -37.46 92.06 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.444 2.096 . . . . 0.58 112.571 175.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.556 HD11 ' HG3' ' A' 1874 ' ' LYS . 80.1 mt -71.35 -42.36 68.6 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.155 -0.218 . . . . 0.37 111.089 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.66 -33.44 71.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.24 0.543 . . . . 0.36 109.723 174.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.16 -43.71 73.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.593 -0.73 . . . . 1.43 110.338 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -67.8 -42.55 81.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 1.07 110.984 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 36.4 tp -60.08 -32.31 70.83 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.872 -0.418 . . . . 0.25 109.872 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 53.7 m -72.9 -49.82 27.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.964 -0.562 . . . . 0.28 111.434 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 54.6 p -67.62 -50.06 59.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.406 0.622 . . . . 1.17 111.293 -174.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.16 -31.32 69.89 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.119 -0.946 . . . . 0.8 111.482 -176.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . 0.531 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 43.6 t80 -64.91 -40.27 94.82 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.604 -0.438 . . . . 0.31 110.082 174.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.98 -31.1 58.3 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.809 -0.632 . . . . 0.31 112.109 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -68.04 -45.47 73.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 3.04 110.17 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' 1861 ' ' ALA . 20.1 mt -61.36 -41.38 96.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.402 -0.363 . . . . 0.86 110.896 177.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.38 98.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.183 -0.462 . . . . 0.49 111.426 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 5.7 p -77.56 -36.55 52.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.527 -0.306 . . . . 1.38 111.419 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.545 ' O ' ' HD2' ' A' 1902 ' ' PRO . 20.9 mt-30 -74.74 -24.11 58.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.765 -0.198 . . . . 1.56 111.391 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.83 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.76 0.314 . . . . 0.34 111.476 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.824 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 7.9 mmmm -58.74 -53.32 67.5 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 116.302 -0.408 . . . . 2.27 111.507 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.824 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 11.0 Cg_exo -73.11 -28.84 12.37 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.26 1.973 . . . . 0.6 112.305 174.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.05 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.39 110.768 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . 0.479 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -59.4 -46.48 88.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.733 -0.667 . . . . 0.46 111.416 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' 1902 ' ' PRO . 12.4 p -75.57 -23.36 16.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 1.26 111.044 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.53 -20.62 56.71 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.77 0.319 . . . . 0.64 111.134 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -72.33 139.77 48.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.237 -0.438 . . . . 0.85 110.259 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.11 -28.61 18.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.048 0.451 . . . . 2.67 110.094 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.474 ' HB3' HG12 ' A' 1912 ' ' ILE . 51.7 t-20 -87.69 122.24 31.12 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.322 -0.992 . . . . 2.18 108.322 172.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.28 -36.19 77.26 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.401 -0.363 . . . . 2.24 111.457 -173.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.67 -35.19 80.06 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.432 -0.349 . . . . 2.49 111.047 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.551 ' O ' HG13 ' A' 1916 ' ' ILE . 41.6 mm -60.67 -51.02 77.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.741 -0.466 . . . . 0.89 109.741 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -60.41 -42.09 98.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.978 -0.629 . . . . 0.51 112.585 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.4 89.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 0.46 110.609 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.522 ' O ' ' HG2' ' A' 1919 ' ' ARG . 24.0 m-70 -66.42 -40.16 89.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.69 -0.686 . . . . 1.62 111.335 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.572 HD11 ' HE1' ' A' 1850 ' ' PHE . 74.0 mt -53.09 -54.65 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.785 0.326 . . . . 0.4 110.98 178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.56 ' O ' ' HG3' ' A' 1921 ' ' GLN . 50.4 mtmt -59.08 -47.59 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 1.36 110.566 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -64.53 -34.74 78.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.529 -0.76 . . . . 1.91 112.023 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.606 ' HB3' HG22 ' A' 1964 ' ' VAL . 29.9 mmt180 -66.21 -40.07 90.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 2.55 110.567 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' 1916 ' ' ILE . 60.7 t -65.23 -27.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.469 0.652 . . . . 0.35 110.098 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' 1917 ' ' LYS . 18.0 mt-30 -71.39 -24.73 62.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.836 -0.62 . . . . 1.22 111.365 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.73 -42.39 83.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.935 -0.765 . . . . 1.49 108.935 171.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.728 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.6 mt -74.13 -26.79 60.53 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.634 -0.712 . . . . 0.67 109.886 174.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . 0.446 ' O ' HD11 ' A' 1835 ' ' ILE . . . -57.91 -33.24 67.98 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.015 -1.088 . . . . 0.64 111.456 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -91.37 -46.59 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.669 0.271 . . . . 0.69 110.635 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.55 -50.04 46.19 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.085 -0.579 . . . . 0.25 113.215 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.728 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 88.2 m -65.41 -37.25 86.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.703 0.287 . . . . 1.22 110.436 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 30.9 t -61.0 -46.5 90.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.201 0.524 . . . . 1.03 110.175 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.22 90.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.644 -0.707 . . . . 0.28 110.725 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.677 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.84 -52.87 62.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 0.28 110.871 -178.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' 1886 ' ' ALA . 32.9 m -63.84 -37.63 80.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.83 0.348 . . . . 0.26 110.721 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.3 m -65.33 -42.01 93.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.071 0.462 . . . . 0.8 110.658 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.55 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.4 tptt -67.22 -40.69 86.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.914 -0.585 . . . . 1.27 110.642 -178.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . 0.669 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -59.1 -35.76 73.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.3 111.054 176.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -62.35 -41.88 99.73 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.555 -0.831 . . . . 0.4 111.522 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.02 -31.47 64.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.746 0.308 . . . . 0.5 111.047 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' 1937 ' ' LEU . 2.7 tm? -70.42 -31.17 68.25 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.505 -0.554 . . . . 0.41 109.505 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -76.13 -25.83 55.73 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.026 0.441 . . . . 1.06 110.858 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 49.6 t -76.28 -17.85 59.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.824 -0.625 . . . . 1.43 110.011 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 26.1 m -153.16 70.02 6.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.8 109.965 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.76 -13.19 38.64 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.813 2.342 . . . . 0.69 113.047 -173.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.3 m -95.18 -0.69 52.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.962 -0.563 . . . . 1.54 111.047 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -87.58 107.94 18.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.218 0.532 . . . . 1.16 110.211 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 61.0 t -68.97 -31.85 52.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.647 -0.706 . . . . 1.33 111.095 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 61.5 t80 -64.46 -48.51 75.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.509 -0.314 . . . . 1.91 110.537 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.539 HG23 ' HE3' ' A' 1933 ' ' LYS . 41.8 m -59.25 -42.92 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.6 110.597 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.471 ' O ' HG13 ' A' 1951 ' ' ILE . 29.0 ttpp -63.37 -42.42 98.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 1.2 110.111 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.4 -42.84 88.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 2.67 110.699 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.55 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 42.4 mt-10 -65.18 -41.47 94.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.952 -0.567 . . . . 1.53 110.778 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.59 -39.71 84.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.61 -0.268 . . . . 0.31 110.615 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' 1947 ' ' LYS . 96.7 mt -55.37 -45.21 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.983 0.42 . . . . 0.35 109.892 174.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' A' 1956 ' ' ARG . 23.7 mm-40 -59.18 -52.67 64.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.916 -0.583 . . . . 2.11 111.04 174.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.546 ' O ' HG23 ' A' 1957 ' ' VAL . 71.7 m -52.91 -47.21 68.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.309 -0.405 . . . . 0.88 110.876 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.464 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -58.82 -43.89 90.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.383 -0.371 . . . . 0.25 111.65 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' 1955 ' ' ARG . 48.3 mtp180 -60.43 -46.56 89.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.368 0.604 . . . . 3.21 110.227 177.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' 1952 ' ' GLU . 92.7 mtt180 -68.01 -39.23 83.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.133 -0.94 . . . . 3.16 111.31 -174.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.609 ' HB ' HG21 ' A' 1868 ' ' VAL . 95.9 t -63.21 -44.42 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.728 0.299 . . . . 0.3 110.347 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 32.6 t -57.51 -38.45 74.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.116 -0.493 . . . . 1.13 110.372 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.25 -35.41 77.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.928 -0.578 . . . . 1.86 110.968 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.587 ' O ' HG23 ' A' 1964 ' ' VAL . 28.2 mmtp -69.46 -35.94 76.1 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.002 -0.279 . . . . 0.65 110.515 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.756 HG11 ' HB2' ' A' 1865 ' ' ALA . 51.1 t -57.3 -44.23 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.967 0.413 . . . . 0.27 110.126 175.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 30.3 t -59.21 -36.19 74.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.7 -0.682 . . . . 1.3 110.355 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 43.3 m170 -70.92 -38.48 72.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 1.11 110.279 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.606 HG22 ' HB3' ' A' 1919 ' ' ARG . 56.9 t -62.0 -52.11 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.35 110.499 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 63.9 mt -55.28 -43.89 75.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.657 -0.701 . . . . 0.35 110.714 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.48 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.4 111.566 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -65.94 -40.32 91.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.37 . . . . 0.46 110.743 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.622 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -68.53 -49.43 59.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.5 110.369 177.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.79 -24.83 66.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.309 -0.405 . . . . 1.7 111.537 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.897 0.38 . . . . 0.93 110.805 178.22 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 121.275 0.559 . . . . 0.74 110.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.02 -36.69 73.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.525 -0.761 . . . . 0.87 110.945 176.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 15.8 m -64.61 -34.7 78.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.97 110.672 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 54.7 mt -68.12 -46.08 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.55 . . . . 0.32 109.613 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 20.9 m -62.47 -48.03 81.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.425 -0.807 . . . . 0.61 111.133 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -59.72 -38.16 80.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 2.49 110.861 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -61.42 -38.12 85.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.34 111.33 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.94 -44.44 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.06 0.457 . . . . 0.49 110.718 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -63.15 -49.41 74.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.769 -0.65 . . . . 0.72 111.684 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -67.2 -33.07 74.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.544 0.572 . . . . 1.0 112.544 -175.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' 1920 ' ' VAL . 66.4 mt . . . . . 0 C--N 1.329 -0.304 0 N-CA-C 112.065 0.394 . . . . 0.79 112.065 -175.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 68.3 t80 . . . . . 0 C--O 1.228 -0.034 0 CA-C-O 120.731 0.301 . . . . 0.68 111.069 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.3 p -53.87 -41.74 50.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.79 111.517 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.67 -43.73 83.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.422 . . . . 1.71 110.167 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.418 ' CZ ' ' HB2' ' A' 1902 ' ' PRO . 84.0 m-85 -66.73 -44.23 82.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.255 -0.43 . . . . 1.07 110.845 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.33 -53.91 53.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.014 -0.539 . . . . 0.99 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 5.9 t -62.96 -27.61 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 1.46 111.054 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 34.7 m -78.51 -51.51 9.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.843 0.354 . . . . 0.42 110.911 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.1 mtp -62.38 -36.15 81.37 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.331 0.493 . . . . 0.71 112.331 -174.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.678 ' O ' ' HG3' ' A' 1862 ' ' LYS . 28.5 m -63.89 -30.51 50.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 C-N-CA 120.355 -0.538 . . . . 0.29 110.308 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -77.05 -43.63 33.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 3.02 110.167 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.459 ' HB ' ' CD2' ' A' 1896 ' ' LEU . 4.2 m -63.7 -35.01 79.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.023 -0.535 . . . . 0.35 110.925 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.545 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.74 -43.6 92.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.25 110.529 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' 1858 ' ' VAL . 60.6 mttm -62.62 -34.17 76.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.052 0.454 . . . . 1.31 110.148 175.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.06 89.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 0.41 111.331 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.827 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -72.39 -28.59 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.248 -0.581 . . . . 0.28 109.95 178.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.633 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -66.36 -41.0 90.14 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 116.1 -0.5 . . . . 0.2 111.308 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.428 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.8 p -73.21 -24.98 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.46 -0.496 . . . . 0.73 110.305 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.59 ' O ' ' HG3' ' A' 1871 ' ' MET . 89.6 m -69.19 -53.98 17.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.385 -0.371 . . . . 0.25 110.676 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.638 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.4 p -61.48 -40.88 87.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.595 0.236 . . . . 0.28 111.21 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.428 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.2 -26.51 67.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.91 109.951 179.365 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' 1869 ' ' GLN . 8.7 tp10 -77.96 -38.2 45.72 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.754 -0.462 . . . . 0.57 109.754 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.59 ' HG3' ' O ' ' A' 1867 ' ' THR . 85.4 mtp -61.35 -46.84 88.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.568 -0.287 . . . . 1.25 110.918 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 7.5 p -61.27 -37.25 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.446 0.641 . . . . 0.59 110.769 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 78.7 m -75.25 -45.64 38.82 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.358 -0.837 . . . . 0.44 110.977 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.786 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -65.66 -31.32 72.28 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 116.229 -0.441 . . . . 1.4 111.377 179.538 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 22.6 t -60.51 -24.67 65.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.077 0.465 . . . . 1.11 110.719 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -81.11 -38.53 27.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 0.76 111.387 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 37.6 p -99.66 -41.7 7.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.453 0.538 . . . . 1.32 112.453 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.2 t -148.55 94.13 4.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.841 0.353 . . . . 1.17 110.636 -173.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.456 ' HB3' ' CD1' ' A' 1937 ' ' LEU . 23.7 Cg_exo -64.92 -13.11 37.74 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.65 2.233 . . . . 0.67 111.606 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -72.33 -25.47 61.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.775 -0.648 . . . . 2.24 110.447 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' 1885 ' ' LEU . 42.8 mm-40 -78.53 -15.3 58.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.805 -0.634 . . . . 1.89 110.991 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.437 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 94.2 mt -63.72 -30.67 71.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 0.34 111.666 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -67.14 -56.35 12.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.509 -0.853 . . . . 0.38 113.028 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' 1881 ' ' GLU . 38.6 Cg_exo -62.24 -28.05 78.86 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.303 2.002 . . . . 0.58 112.584 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.576 HD11 ' HG3' ' A' 1874 ' ' LYS . 90.4 mt -74.59 -42.38 58.8 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.884 -0.326 . . . . 0.37 110.313 176.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.91 85.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.122 -0.696 . . . . 0.36 109.122 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 9.7 m120 -57.13 -47.69 80.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.174 -0.921 . . . . 1.43 110.365 174.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . 0.486 ' HG2' ' OD2' ' A' 1892 ' ' ASP . 49.3 tt0 -72.57 -43.32 63.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.608 -0.724 . . . . 1.07 111.304 -175.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 51.5 tp -57.82 -38.71 76.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.113 0.482 . . . . 0.25 109.773 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 67.2 m -64.58 -46.91 80.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.615 -0.721 . . . . 0.28 111.114 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 48.3 p -71.81 -44.47 63.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.934 0.397 . . . . 1.17 111.292 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.65 ' HB3' HG22 ' A' 1864 ' ' ILE . 69.4 m-20 -59.05 -43.88 91.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.8 110.634 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.77 -41.39 90.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.31 110.784 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.55 -35.93 75.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.971 -0.633 . . . . 0.31 112.333 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -68.75 -37.8 79.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.005 0.431 . . . . 3.04 110.586 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.459 ' CD2' ' HB ' ' A' 1860 ' ' THR . 26.5 mt -66.1 -48.81 69.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.368 . . . . 0.86 110.523 174.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -67.15 -25.94 66.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.777 -0.647 . . . . 0.49 112.426 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 11.7 p -82.06 -40.76 21.54 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.86 -0.336 . . . . 1.38 110.94 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.476 ' O ' ' HD2' ' A' 1902 ' ' PRO . 20.2 mt-30 -76.89 -24.94 52.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.36 -0.382 . . . . 1.56 111.774 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -66.36 -28.55 68.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.334 . . . . 0.34 111.811 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.824 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 58.4 mtpt -63.02 -59.04 13.51 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 116.267 -0.424 . . . . 2.27 111.192 -178.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.824 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 12.5 Cg_exo -69.5 -28.51 26.4 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.126 1.884 . . . . 0.6 112.222 178.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.25 83.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.223 0.535 . . . . 0.39 110.457 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . 0.459 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -60.7 -47.24 87.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.375 -0.83 . . . . 0.46 111.779 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 12.3 p -75.34 -26.37 18.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 1.26 111.419 -176.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -80.03 -16.67 54.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.121 0.486 . . . . 0.64 110.804 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.83 145.97 51.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.85 111.222 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.51 -62.91 1.53 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.905 -0.589 . . . . 2.67 111.09 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.832 ' HB2' HG12 ' A' 1912 ' ' ILE . 1.6 m-20 -81.28 139.68 35.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.216 -0.447 . . . . 2.18 109.911 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.45 -36.9 85.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.479 -0.934 . . . . 2.24 108.479 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.8 mp0 -59.77 -38.39 81.7 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.266 -0.879 . . . . 2.49 110.68 177.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.832 HG12 ' HB2' ' A' 1909 ' ' ASN . 40.5 mm -66.49 -42.92 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.459 -0.337 . . . . 0.89 110.183 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -63.72 -44.58 96.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.618 -0.801 . . . . 0.51 111.612 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.16 79.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.25 0.548 . . . . 0.46 110.666 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.505 ' O ' ' HG2' ' A' 1919 ' ' ARG . 1.4 t-160 -65.01 -49.24 70.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.445 -0.798 . . . . 1.62 110.383 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' 1912 ' ' ILE . 84.9 mt -58.36 -54.13 36.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.4 111.16 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.6 ptpt -61.13 -37.26 82.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 1.36 111.346 -176.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 19.7 m170 -75.56 -26.14 57.69 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.979 0.363 . . . . 1.91 111.979 -177.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' 1915 ' ' HIS . 18.9 mmt180 -75.24 -33.62 61.34 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.921 -0.312 . . . . 2.55 110.881 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.568 ' HB ' HD13 ' A' 1838 ' ' LEU . 17.7 t -70.58 -22.58 23.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.911 -0.403 . . . . 0.35 109.911 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.1 mm-40 -60.31 -39.73 88.04 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.34 0.59 . . . . 1.22 109.468 172.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' 1919 ' ' ARG . 14.5 mm-40 -58.62 -46.95 85.95 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.109 -0.95 . . . . 1.49 109.939 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 1923 ' ' LEU . 18.5 mt -63.31 -38.11 89.9 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.509 -0.769 . . . . 0.67 110.576 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.78 -53.42 36.41 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.778 -0.725 . . . . 0.64 111.781 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -65.62 -43.8 88.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.737 0.303 . . . . 0.69 110.746 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.0 -52.71 35.13 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.903 -0.665 . . . . 0.25 112.864 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.416 ' O ' HG22 ' A' 1931 ' ' VAL . 78.8 m -61.51 -43.46 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.246 0.218 . . . . 1.22 111.138 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 29.2 m -55.98 -47.36 77.84 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.072 0.463 . . . . 1.03 110.419 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.05 82.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 0.28 111.282 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.615 HD12 HG21 ' A' 1957 ' ' VAL . 0.6 OUTLIER -67.88 -53.5 26.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.269 -0.423 . . . . 0.28 110.099 -179.44 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' 1927 ' ' CYS . 27.3 m -64.27 -35.84 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 0.26 111.146 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.6 m -57.65 -45.36 85.61 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.8 0.333 . . . . 0.8 110.751 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.554 ' HE2' ' HB3' ' A' 1949 ' ' GLU . 13.9 mptt -65.71 -40.97 92.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.27 111.18 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -62.73 -35.06 78.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.499 -0.319 . . . . 0.3 111.52 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -60.47 -43.37 98.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.488 -0.863 . . . . 0.4 111.575 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -76.65 -29.51 56.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.809 0.338 . . . . 0.5 111.096 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' 1937 ' ' LEU . 1.5 tm? -71.74 -28.63 63.79 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.787 -0.449 . . . . 0.41 109.787 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -77.46 -26.68 51.66 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.222 -0.591 . . . . 1.06 110.784 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.8 t -74.27 -27.68 60.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.316 -0.624 . . . . 1.43 109.316 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 19.6 m -142.3 71.47 22.06 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.785 -0.643 . . . . 0.8 109.868 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.52 ' HA ' HD13 ' A' 1937 ' ' LEU . 38.2 Cg_endo -68.11 -8.82 23.87 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.663 2.242 . . . . 0.69 111.624 -176.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 6.7 p -89.59 -15.72 32.18 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.649 -1.16 . . . . 1.54 111.259 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.4 117.94 20.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 1.16 111.013 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 49.5 t -75.28 -34.87 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.78 -0.645 . . . . 1.33 110.648 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 53.9 t80 -61.74 -48.88 78.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.838 -0.619 . . . . 1.91 110.862 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 21.6 m -65.27 -37.66 87.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.195 -0.457 . . . . 0.6 110.789 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.413 ' O ' HG13 ' A' 1951 ' ' ILE . 36.9 ttpt -65.6 -41.59 92.63 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.065 -0.346 . . . . 1.2 110.065 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' 1952 ' ' GLU . 26.1 ttpp -55.23 -47.57 75.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 2.67 109.964 174.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.554 ' HB3' ' HE2' ' A' 1933 ' ' LYS . 24.0 mm-40 -61.18 -40.91 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.362 -0.835 . . . . 1.53 111.433 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.98 -41.62 95.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.63 -0.259 . . . . 0.31 110.72 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.516 ' O ' ' HG2' ' A' 1955 ' ' ARG . 83.7 mt -60.06 -42.34 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.35 110.18 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' 1948 ' ' LYS . 19.2 mm-40 -65.48 -41.92 92.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 2.11 110.404 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' 1957 ' ' VAL . 85.3 m -56.21 -43.66 78.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.88 110.395 175.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.36 91.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.935 -0.575 . . . . 0.25 111.212 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' 1951 ' ' ILE . 22.5 mmm180 -58.63 -50.65 73.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.014 0.435 . . . . 3.21 110.409 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.55 ' O ' ' HG2' ' A' 1960 ' ' LYS . 45.2 mtt180 -58.21 -39.45 79.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 3.16 111.041 -177.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.638 ' HB ' HG21 ' A' 1868 ' ' VAL . 61.5 t -63.19 -54.5 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.3 110.7 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 21.0 t -60.28 -34.94 74.47 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.954 0.407 . . . . 1.13 110.502 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -60.45 -40.14 90.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.454 0.645 . . . . 1.86 111.268 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' 1956 ' ' ARG . 28.0 mmtp -81.38 -27.21 34.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.073 -0.512 . . . . 0.65 111.439 -176.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.827 HG22 HD11 ' A' 1864 ' ' ILE . 42.8 t -53.7 -48.23 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.923 0.392 . . . . 0.27 110.379 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 2.8 m -58.26 -37.34 74.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.647 -0.706 . . . . 1.3 110.669 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 70.8 m80 -69.87 -42.13 73.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.005 -0.543 . . . . 1.11 110.81 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' 1960 ' ' LYS . 61.8 t -63.56 -46.76 94.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.418 -0.356 . . . . 0.35 110.453 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.446 HD21 ' HB3' ' A' 1861 ' ' ALA . 63.7 mt -57.53 -48.7 78.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 0.35 111.012 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.31 -24.81 65.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.099 -0.501 . . . . 0.4 111.801 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -66.88 -26.71 67.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.516 -0.311 . . . . 0.46 111.05 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' 1968 ' ' LEU . 3.6 mm? -78.11 -48.08 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.574 -0.285 . . . . 0.5 111.198 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -69.65 -15.88 63.27 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.687 0.279 . . . . 1.7 111.157 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 121.144 0.497 . . . . 0.93 110.481 177.2 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.233 0.229 0 CA-C-O 121.147 0.498 . . . . 0.74 109.729 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.11 -40.44 89.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.455 -0.793 . . . . 0.87 110.698 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 35.8 m -57.33 -32.98 67.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.392 -0.822 . . . . 0.97 111.422 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.439 HG23 ' CE2' ' A' 1893 ' ' TYR . 57.5 mt -72.73 -44.15 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.011 0.434 . . . . 0.32 110.386 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 6.3 m -64.29 -39.49 94.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.168 0.509 . . . . 0.61 110.321 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -59.94 -41.81 92.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.923 -0.581 . . . . 2.49 110.58 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -58.76 -34.8 71.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.796 -0.638 . . . . 0.34 111.133 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . 0.439 ' HA ' HE22 ' A' 1921 ' ' GLN . 55.6 mt -62.94 -48.19 89.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.608 . . . . 0.49 110.551 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -71.95 -41.07 68.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.981 -0.554 . . . . 0.72 111.646 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.8 pt20 -62.45 -30.68 71.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.772 0.286 . . . . 1.0 111.772 -174.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.49 HD12 HE21 ' A' 1921 ' ' GLN . 61.8 mt . . . . . 0 C--O 1.234 0.288 0 CA-C-O 120.812 0.339 . . . . 0.79 111.033 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 84.9 t80 . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.701 0.286 . . . . 0.68 110.366 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.8 p -60.47 -36.18 67.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 115.943 -0.571 . . . . 0.79 111.243 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.33 -52.45 27.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 1.71 110.092 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -61.59 -39.42 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 1.07 110.951 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.692 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 53.0 tt0 -54.88 -52.54 62.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 0.99 110.802 177.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.512 ' O ' ' HG3' ' A' 1859 ' ' ARG . 26.9 m -61.19 -43.26 99.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 1.46 110.846 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 13.5 m -66.71 -39.53 88.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.773 0.32 . . . . 0.42 110.998 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.8 mmm -64.94 -51.07 63.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.586 -0.279 . . . . 0.71 111.392 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.713 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.2 m -61.3 -40.64 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.704 -0.399 . . . . 0.29 111.479 -176.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' 1855 ' ' THR . 22.6 mtm180 -63.33 -43.24 98.32 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.824 0.345 . . . . 3.02 110.615 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.751 ' HB ' HD21 ' A' 1896 ' ' LEU . 25.4 m -69.81 -33.49 72.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.836 -0.62 . . . . 0.35 110.598 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.572 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.58 -42.21 95.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.25 110.248 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.713 ' HG3' ' O ' ' A' 1858 ' ' VAL . 77.6 mttt -66.56 -32.52 73.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.042 0.449 . . . . 1.31 109.857 175.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.99 -37.33 85.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.714 -0.675 . . . . 0.41 111.288 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.681 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -79.57 -26.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.403 -0.519 . . . . 0.28 109.749 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.835 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.52 -35.55 77.62 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.892 -0.594 . . . . 0.2 111.464 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.443 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 11.8 p -74.11 -26.57 21.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.18 0.514 . . . . 0.73 110.171 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 59.4 m -74.26 -46.51 40.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.814 -0.63 . . . . 0.25 110.934 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.906 HG21 ' HB ' ' A' 1957 ' ' VAL . 4.3 p -65.85 -35.64 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 0.28 110.754 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.501 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -70.27 -25.7 63.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.757 -0.46 . . . . 0.91 109.757 177.102 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' 1869 ' ' GLN . 10.1 tp10 -77.49 -31.3 53.51 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.32 -0.4 . . . . 0.57 110.14 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.63 ' SD ' HD22 ' A' 1882 ' ' LEU . 4.3 mmt -55.05 -45.86 75.29 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.924 -0.58 . . . . 1.25 111.645 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.513 HG23 HG23 ' A' 1951 ' ' ILE . 14.2 p -62.93 -38.79 82.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.275 0.559 . . . . 0.59 110.988 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 89.8 m -76.1 -43.78 41.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.584 -0.735 . . . . 0.44 111.196 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.956 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -68.2 -45.67 72.73 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.342 -0.39 . . . . 1.4 111.977 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 22.4 p -56.92 -27.79 61.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.767 0.318 . . . . 1.11 111.853 -175.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -65.91 -52.55 49.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.112 -0.495 . . . . 0.76 111.769 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 6.1 t -109.69 -26.91 9.63 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.967 0.728 . . . . 1.32 112.967 -172.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 15.0 m -135.29 79.06 50.31 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 122.208 -0.308 . . . . 1.17 110.905 -173.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.32 -28.43 63.54 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.852 2.368 . . . . 0.67 113.348 -177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.61 -17.13 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.526 -0.47 . . . . 2.24 110.864 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -77.59 -10.42 59.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.89 111.3 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.63 HD22 ' SD ' ' A' 1871 ' ' MET . 86.6 mt -70.99 -25.36 62.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.34 110.778 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . 0.406 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.51 -55.71 23.81 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.786 -0.721 . . . . 0.38 113.063 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' 1883 ' ' GLY . 10.8 Cg_endo -58.39 -31.39 93.87 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.258 1.972 . . . . 0.58 112.351 175.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.65 HD11 ' HG3' ' A' 1874 ' ' LYS . 84.1 mt -73.92 -42.27 60.86 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 120.7 0.285 . . . . 0.37 110.621 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . 0.454 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.23 -35.56 73.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.222 0.535 . . . . 0.36 109.595 175.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -66.83 -50.25 63.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.351 -0.84 . . . . 1.43 111.121 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.84 -47.42 78.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.722 -0.672 . . . . 1.07 111.408 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.512 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.4 tp -54.62 -43.69 72.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.105 0.478 . . . . 0.25 110.113 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 66.0 m -66.74 -47.04 73.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.478 -0.783 . . . . 0.28 111.502 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 3.5 t -68.1 -42.09 80.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.254 -0.43 . . . . 1.17 111.122 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -73.34 -34.52 65.7 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.952 -0.299 . . . . 0.8 111.157 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 50.7 t80 -59.56 -40.44 87.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.866 0.365 . . . . 0.31 110.276 175.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.86 -30.81 53.91 Favored Glycine 0 CA--C 1.521 0.409 0 CA-C-N 115.837 -0.62 . . . . 0.31 112.771 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -68.84 -49.52 57.7 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.928 -0.397 . . . . 3.04 109.928 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.751 HD21 ' HB ' ' A' 1860 ' ' THR . 69.2 mt -57.29 -43.73 83.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 0.86 110.318 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -63.43 -25.71 68.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.497 -0.774 . . . . 0.49 111.687 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 25.4 m -86.67 -47.11 9.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.814 0.34 . . . . 1.38 110.512 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.93 -27.39 66.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 1.56 111.895 -176.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -61.26 -25.3 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.023 0.379 . . . . 0.34 112.023 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.797 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 10.0 mtpm? -72.39 -59.68 2.47 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-O 119.496 -0.288 . . . . 2.27 111.223 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.797 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 34.9 Cg_exo -62.81 -32.48 77.67 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.972 1.781 . . . . 0.6 112.411 176.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.64 91.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.976 0.417 . . . . 0.39 110.686 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . 0.407 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -62.48 -32.85 73.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 0.46 111.045 178.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 2.0 t -76.62 -39.89 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.028 -0.533 . . . . 1.26 110.818 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.03 66.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.685 -0.689 . . . . 0.64 110.857 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.02 143.64 54.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.939 -0.573 . . . . 0.85 110.293 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.37 -30.21 37.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.864 0.364 . . . . 2.67 111.359 -175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.481 ' HB3' HG12 ' A' 1912 ' ' ILE . 58.8 t30 -106.43 147.01 29.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.919 0.39 . . . . 2.18 111.03 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.76 -53.74 51.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.512 -0.767 . . . . 2.24 111.465 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.573 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.7 mp0 -58.11 -29.2 65.3 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.978 -0.555 . . . . 2.49 111.392 -176.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.481 HG12 ' HB3' ' A' 1909 ' ' ASN . 48.9 mm -67.97 -46.0 82.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.58 0.228 . . . . 0.89 110.537 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -65.25 -40.74 96.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.68 -0.771 . . . . 0.51 111.709 178.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.98 89.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.169 0.509 . . . . 0.46 110.443 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' 1911 ' ' GLU . 5.3 t-80 -61.47 -45.46 94.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.438 -0.801 . . . . 1.62 110.93 -177.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.545 ' O ' HG23 ' A' 1920 ' ' VAL . 72.8 mt -59.53 -54.72 30.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.4 110.943 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.625 ' O ' ' HG2' ' A' 1921 ' ' GLN . 1.3 ptpm? -65.34 -32.34 73.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 1.36 111.259 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 7.9 m170 -69.58 -32.67 71.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.656 -0.247 . . . . 1.91 111.557 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.851 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 20.5 mmt180 -78.11 -25.23 47.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.821 0.343 . . . . 2.55 110.663 178.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' 1916 ' ' ILE . 48.6 t -72.31 -26.75 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.207 0.527 . . . . 0.35 109.795 174.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' 1917 ' ' LYS . 20.5 mm-40 -61.33 -30.17 70.34 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.851 -0.613 . . . . 1.22 110.024 174.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.587 ' HG3' ' HA ' ' A' 1919 ' ' ARG . 2.2 mt-10 -63.81 -47.76 79.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.546 -0.752 . . . . 1.49 110.489 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.689 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 15.0 mt -70.12 -27.16 64.35 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.281 -0.637 . . . . 0.67 109.281 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . 0.411 ' C ' HD11 ' A' 1835 ' ' ILE . . . -56.18 -32.64 60.25 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.76 -0.733 . . . . 0.64 111.859 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -93.91 -48.48 6.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.691 0.281 . . . . 0.69 110.368 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -62.03 -52.86 47.13 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.155 -0.545 . . . . 0.25 113.096 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.689 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 91.3 m -64.68 -38.09 89.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.7 0.286 . . . . 1.22 110.551 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 11.8 t -63.04 -46.37 87.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.972 0.415 . . . . 1.03 110.244 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.48 97.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 0.28 110.803 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.456 HD12 HG21 ' A' 1957 ' ' VAL . 0.4 OUTLIER -61.96 -53.16 59.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.28 110.711 -178.302 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . 0.454 HG12 ' HA ' ' A' 1886 ' ' ALA . 30.2 m -66.17 -31.78 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.396 -0.365 . . . . 0.26 110.968 -177.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 82.2 m -69.27 -42.72 75.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.8 110.675 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.749 ' HE3' HG23 ' A' 1946 ' ' THR . 40.6 tptt -66.64 -38.02 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 1.27 110.346 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -55.47 -41.56 73.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.3 111.116 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -54.98 -40.97 75.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.219 -0.515 . . . . 0.4 112.664 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -77.58 -34.83 53.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.775 0.322 . . . . 0.5 110.779 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.82 -36.31 75.51 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.154 -0.476 . . . . 0.41 110.054 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -69.56 -26.1 64.32 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.807 -0.357 . . . . 1.06 110.981 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 36.1 t -77.2 -19.19 57.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 1.43 110.313 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 43.0 m -149.25 70.15 9.85 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.8 110.075 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.83 -16.01 53.2 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.974 2.449 . . . . 0.69 112.912 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.4 m -96.15 10.37 37.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.856 -0.611 . . . . 1.54 111.345 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -94.14 121.9 36.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.91 0.386 . . . . 1.16 110.385 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 18.3 m -69.58 -40.59 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.074 -0.512 . . . . 1.33 112.198 -175.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -67.88 -49.52 61.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.83 -0.168 . . . . 1.91 111.365 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.749 HG23 ' HE3' ' A' 1933 ' ' LYS . 27.2 m -59.68 -36.72 77.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.945 0.402 . . . . 0.6 110.691 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -70.95 -44.67 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 1.2 110.584 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' 1952 ' ' GLU . 59.6 tttp -62.56 -42.4 99.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.52 -0.309 . . . . 2.67 110.827 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.531 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 47.0 mt-10 -58.56 -36.16 73.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 1.53 110.999 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.8 tt -69.79 -36.37 75.64 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.959 -0.385 . . . . 0.31 109.959 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.513 HG23 HG23 ' A' 1872 ' ' VAL . 86.6 mt -61.19 -43.01 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.35 109.816 173.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.657 ' O ' ' HG3' ' A' 1956 ' ' ARG . 65.4 mm-40 -63.0 -39.5 94.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.846 -0.616 . . . . 2.11 109.92 175.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' 1957 ' ' VAL . 74.7 m -60.72 -43.94 97.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.437 -0.347 . . . . 0.88 110.611 176.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.19 -52.11 65.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.25 111.597 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.553 ' O ' ' HG3' ' A' 1959 ' ' GLU . 14.2 ptm180 -58.14 -34.27 70.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.672 -0.24 . . . . 3.21 111.514 -176.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' 1952 ' ' GLU . 18.8 mtm180 -68.41 -41.73 80.0 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.732 0.301 . . . . 3.16 110.784 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.906 ' HB ' HG21 ' A' 1868 ' ' VAL . 59.4 t -63.42 -45.32 98.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.3 110.333 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 35.5 m -57.68 -34.87 69.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.614 . . . . 1.13 111.224 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' 1955 ' ' ARG . 45.0 mt-10 -64.39 -39.09 93.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.333 0.587 . . . . 1.86 110.316 176.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.1 mmtt -73.43 -31.99 64.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.593 -0.731 . . . . 0.65 111.027 -175.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.835 HG11 ' HB2' ' A' 1865 ' ' ALA . 46.5 t -57.23 -44.88 84.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.774 0.321 . . . . 0.27 110.737 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 8.8 t -59.91 -37.81 80.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 1.3 110.226 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.851 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 63.7 m80 -67.77 -40.52 84.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.942 -0.572 . . . . 1.11 111.024 178.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' 1960 ' ' LYS . 59.9 t -63.89 -47.72 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.35 110.074 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.04 -50.21 73.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.738 -0.665 . . . . 0.35 110.912 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.63 -24.32 67.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.947 -0.569 . . . . 0.4 111.774 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -63.72 -30.15 71.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.36 -0.382 . . . . 0.46 111.072 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.692 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -74.53 -46.89 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.5 111.44 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -69.36 -15.49 63.33 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.893 0.378 . . . . 1.7 111.165 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 0.93 110.302 175.349 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.235 0.293 0 CA-C-O 121.179 0.514 . . . . 0.74 110.67 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.28 -40.21 62.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.87 110.267 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 32.2 m -58.19 -40.62 82.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.97 110.288 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.521 HG23 ' CE2' ' A' 1893 ' ' TYR . 66.2 mt -64.9 -47.42 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.678 . . . . 0.32 110.649 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 27.4 m -62.79 -39.07 93.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.61 110.928 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -61.87 -44.64 96.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 2.49 110.354 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.559 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -55.71 -41.33 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.954 -0.566 . . . . 0.34 111.317 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.65 -48.37 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 0.49 111.083 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -77.19 -33.88 56.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.963 -0.562 . . . . 0.72 111.792 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . 0.559 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 14.9 pt20 -68.44 -28.88 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.224 -0.191 . . . . 1.0 111.058 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 1834 ' ' ALA . 78.8 mt . . . . . 0 C--N 1.332 -0.172 0 CA-C-O 121.021 0.439 . . . . 0.79 111.04 -177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' 1906 ' ' ALA . 60.2 t80 . . . . . 0 C--O 1.226 -0.138 0 CA-C-O 120.328 0.108 . . . . 0.68 111.178 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.3 p -59.07 -38.15 72.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.829 0.347 . . . . 0.79 111.364 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.83 -46.41 78.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 1.71 110.673 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.467 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 78.8 m-85 -76.06 -37.57 58.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.826 -0.625 . . . . 1.07 111.29 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.66 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 29.4 tt0 -56.56 -54.53 44.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.661 0.267 . . . . 0.99 111.039 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.495 ' O ' ' HG3' ' A' 1859 ' ' ARG . 17.1 p -59.35 -41.0 88.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 1.46 111.051 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 21.1 m -70.47 -40.35 73.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.318 -0.401 . . . . 0.42 111.007 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.472 ' SD ' ' HA ' ' A' 1900 ' ' ALA . 47.8 mtp -63.87 -50.79 67.42 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 111.723 0.268 . . . . 0.71 111.723 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.74 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.3 m -59.89 -33.16 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.712 -0.395 . . . . 0.29 110.806 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' 1855 ' ' THR . 62.3 mtp180 -67.79 -45.06 75.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 3.02 110.727 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.68 ' HB ' HD23 ' A' 1896 ' ' LEU . 6.4 m -70.29 -33.75 71.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.35 110.587 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.505 ' HB3' HD21 ' A' 1965 ' ' LEU . . . -62.22 -46.08 90.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.25 110.627 176.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.74 ' HG3' ' O ' ' A' 1858 ' ' VAL . 83.0 mttt -61.94 -31.33 71.64 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.953 0.406 . . . . 1.31 110.478 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.33 93.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.41 111.149 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.635 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -76.78 -26.83 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.627 -0.429 . . . . 0.28 110.117 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.781 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -69.05 -42.62 76.04 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.183 -0.462 . . . . 0.2 111.093 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.481 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.6 p -71.69 -23.97 22.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.213 0.53 . . . . 0.73 110.004 177.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 97.1 m -67.39 -52.34 41.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.883 -0.599 . . . . 0.25 110.563 173.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.773 HG21 ' HB ' ' A' 1957 ' ' VAL . 4.4 p -65.99 -34.95 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.432 -0.349 . . . . 0.28 111.416 -177.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.481 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.77 -29.1 68.97 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.758 -0.46 . . . . 0.91 109.758 177.191 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -77.8 -35.83 50.98 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.226 -0.443 . . . . 0.57 109.938 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.497 ' SD ' ' HB2' ' A' 1885 ' ' LEU . 35.5 mmm -58.56 -46.81 86.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.366 -0.379 . . . . 1.25 111.385 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.42 ' CG2' HG23 ' A' 1951 ' ' ILE . 7.3 p -62.69 -32.29 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.532 0.682 . . . . 0.59 110.752 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 93.8 m -80.38 -44.59 19.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.201 -0.909 . . . . 0.44 110.733 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.66 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 7.1 mmpt? -67.13 -37.93 84.68 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.975 -0.557 . . . . 1.4 111.211 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 24.7 t -54.53 -24.41 20.68 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.808 0.299 . . . . 1.11 111.808 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -75.54 -52.2 11.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.891 0.33 . . . . 0.76 111.891 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 3.8 t -108.12 -16.76 14.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.48 0.548 . . . . 1.32 112.48 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 4.1 m -146.44 75.38 12.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.78 -0.452 . . . . 1.17 109.78 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -72.01 -13.6 28.93 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.488 2.125 . . . . 0.67 112.816 -174.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . 0.504 ' HA ' ' HG2' ' A' 1938 ' ' GLN . 0.1 OUTLIER -92.74 -20.23 20.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.949 0.404 . . . . 2.24 110.271 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -71.14 -9.44 58.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 1.89 110.834 173.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.42 -25.45 68.02 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.76 -0.655 . . . . 0.34 110.365 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.02 -55.51 26.14 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.985 -0.626 . . . . 0.38 113.37 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' 1883 ' ' GLY . 12.9 Cg_endo -59.83 -37.04 88.9 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.239 1.959 . . . . 0.58 112.47 175.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.62 HD11 ' HG3' ' A' 1874 ' ' LYS . 72.5 mt -71.98 -44.27 63.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.564 -0.289 . . . . 0.37 110.753 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.54 68.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.113 0.483 . . . . 0.36 109.869 174.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -71.57 -37.27 71.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.564 . . . . 1.43 110.784 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -69.77 -44.3 70.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.353 -0.385 . . . . 1.07 110.158 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.515 HD12 ' HB ' ' A' 1864 ' ' ILE . 45.2 tp -58.56 -33.52 70.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.25 110.134 176.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 54.3 m -74.85 -51.45 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.646 -0.706 . . . . 0.28 111.433 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' 1895 ' ' ARG . 16.1 p -66.58 -49.99 64.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.497 . . . . 1.17 110.911 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.486 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 6.1 m-20 -64.1 -28.84 70.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.543 -0.753 . . . . 0.8 111.532 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 63.8 t80 -66.06 -45.01 82.86 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.51 -0.476 . . . . 0.31 109.916 174.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.57 -39.89 91.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.31 111.727 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.486 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 94.0 mtt180 -63.98 -50.69 67.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.206 0.527 . . . . 3.04 110.302 175.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.68 HD23 ' HB ' ' A' 1860 ' ' THR . 1.3 tm? -62.55 -40.1 95.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.542 -0.753 . . . . 0.86 110.997 -177.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -69.49 -37.16 77.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.778 0.323 . . . . 0.49 111.098 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 9.5 t -64.38 -35.94 82.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.047 0.451 . . . . 1.38 110.03 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -77.18 -24.81 51.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.734 -0.667 . . . . 1.56 111.051 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . 0.472 ' HA ' ' SD ' ' A' 1857 ' ' MET . . . -68.98 -36.5 77.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.536 . . . . 0.34 112.09 -175.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.827 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 42.0 mtmt -59.65 -58.17 21.41 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 121.132 -0.227 . . . . 2.27 111.526 -178.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.827 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 21.7 Cg_exo -65.42 -29.14 53.92 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.128 1.886 . . . . 0.6 112.375 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' 1853 ' ' TYR . . . -62.19 -46.02 90.81 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.149 0.5 . . . . 0.39 110.358 176.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . 0.466 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -60.75 -48.67 80.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.239 -0.891 . . . . 0.46 111.493 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.481 HG12 ' HA ' ' A' 1902 ' ' PRO . 12.2 p -70.4 -24.36 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.743 0.306 . . . . 1.26 111.33 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -92.73 3.61 55.29 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.342 -0.224 . . . . 0.64 111.504 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.38 159.11 34.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.018 0.437 . . . . 0.85 111.347 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.01 -42.87 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 2.67 110.632 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.791 ' HB2' HG12 ' A' 1912 ' ' ILE . 61.8 m-20 -117.07 141.15 48.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.048 -0.524 . . . . 2.18 110.08 -178.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -57.74 -35.56 70.87 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.49 0.494 . . . . 2.24 110.744 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -65.11 -37.32 87.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 2.49 110.87 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.791 HG12 ' HB2' ' A' 1909 ' ' ASN . 51.6 mm -65.71 -44.66 93.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.648 -0.501 . . . . 0.89 109.648 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.26 -47.2 92.25 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.822 -0.704 . . . . 0.51 111.72 176.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.94 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.274 0.559 . . . . 0.46 110.342 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.8 t-80 -63.66 -40.49 96.98 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.314 -0.857 . . . . 1.62 110.627 -177.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' 1920 ' ' VAL . 82.3 mt -59.51 -53.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.719 0.295 . . . . 0.4 110.385 176.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' 1921 ' ' GLN . 92.9 mttt -54.86 -48.33 73.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.861 -0.609 . . . . 1.36 111.008 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -71.06 -28.48 64.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.842 -0.617 . . . . 1.91 112.185 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.694 ' HB3' HG22 ' A' 1964 ' ' VAL . 16.8 mmm180 -70.88 -36.82 72.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.723 0.297 . . . . 2.55 110.762 177.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' 1916 ' ' ILE . 37.8 t -72.9 -22.69 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.951 0.405 . . . . 0.35 110.452 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.3 mm-40 -60.56 -32.25 71.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.147 0.499 . . . . 1.22 109.899 174.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.14 -49.75 73.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.326 -0.852 . . . . 1.49 111.174 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.669 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 11.0 mt -65.15 -28.75 69.63 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.123 -0.695 . . . . 0.67 109.123 175.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -56.6 -34.01 63.55 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.971 -0.633 . . . . 0.64 112.316 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -95.96 -43.3 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.618 0.247 . . . . 0.69 110.596 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.82 -53.45 27.29 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.144 -0.551 . . . . 0.25 112.835 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.669 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 96.9 m -63.97 -36.43 83.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.695 0.283 . . . . 1.22 110.421 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . 0.411 ' HB2' HG21 ' A' 1831 ' ' ILE . 9.5 t -62.72 -47.53 83.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 1.03 109.951 176.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.82 92.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 0.28 110.761 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.646 HD11 HG23 ' A' 1868 ' ' VAL . 0.5 OUTLIER -63.33 -51.93 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.28 111.339 -178.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 16.6 m -67.25 -34.2 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.955 0.407 . . . . 0.26 110.774 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 94.6 m -68.21 -41.66 80.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.8 110.389 176.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.5 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 36.2 tptt -67.15 -39.29 86.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.831 -0.622 . . . . 1.27 110.236 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.82 77.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.049 -0.523 . . . . 0.3 111.173 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.09 84.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.4 112.459 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.49 -29.37 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 0.5 110.869 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -77.54 -36.37 52.38 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.552 -0.536 . . . . 0.41 109.552 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' A' 1880 ' ' GLU . 17.6 mt-30 -65.61 -25.52 67.42 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.924 0.392 . . . . 1.06 110.945 175.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 54.0 t -66.74 -27.97 68.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 1.43 110.278 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 55.8 m -154.25 76.74 5.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.532 -0.544 . . . . 0.8 109.532 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.84 -14.35 31.8 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.207 2.605 . . . . 0.69 112.582 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 28.4 m -85.41 -12.21 52.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.655 -0.702 . . . . 1.54 111.35 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.37 120.06 17.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 1.16 110.411 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 39.0 t -72.64 -44.94 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.113 -0.494 . . . . 1.33 111.531 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.433 ' O ' ' HG3' ' A' 1949 ' ' GLU . 41.6 t80 -66.25 -46.67 76.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 1.91 111.117 -174.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.483 HG23 ' HE3' ' A' 1933 ' ' LYS . 25.6 m -61.47 -38.27 86.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.068 0.461 . . . . 0.6 110.602 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' 1951 ' ' ILE . 38.1 ttpt -67.16 -44.78 78.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.796 -0.638 . . . . 1.2 110.114 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -55.31 -44.51 75.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 2.67 110.838 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.5 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 48.8 mt-10 -64.47 -39.48 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 1.53 111.369 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.62 -38.23 86.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.102 -0.333 . . . . 0.31 110.102 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' 1947 ' ' LYS . 89.6 mt -58.4 -40.75 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.35 110.165 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' 1956 ' ' ARG . 5.5 mm-40 -65.7 -45.52 82.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.903 -0.589 . . . . 2.11 110.46 175.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.711 ' HA ' ' HD3' ' A' 1956 ' ' ARG . 85.5 m -57.61 -40.96 80.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.88 110.661 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.417 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -61.58 -44.59 96.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.226 -0.443 . . . . 0.25 110.928 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -61.51 -40.57 95.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 3.21 110.515 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.711 ' HD3' ' HA ' ' A' 1953 ' ' CYS . 74.3 mtp180 -62.16 -50.37 72.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.736 -0.666 . . . . 3.16 111.148 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.773 ' HB ' HG21 ' A' 1868 ' ' VAL . 74.7 t -63.76 -44.28 98.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.3 111.681 -177.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.3 m -57.32 -35.88 70.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.922 0.391 . . . . 1.13 111.077 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -72.37 -32.55 66.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.195 -0.457 . . . . 1.86 111.37 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.64 ' O ' HG23 ' A' 1964 ' ' VAL . 73.8 mmtt -65.47 -43.99 88.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.153 -0.476 . . . . 0.65 110.625 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.781 HG11 ' HB2' ' A' 1865 ' ' ALA . 22.0 t -54.92 -44.86 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 O-C-N 123.661 0.601 . . . . 0.27 111.245 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 5.4 m -56.38 -41.69 76.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.007 0.432 . . . . 1.3 110.915 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.484 ' HB2' ' NH2' ' A' 1919 ' ' ARG . 13.9 m-70 -77.82 -23.18 49.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 1.11 111.088 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.694 HG22 ' HB3' ' A' 1919 ' ' ARG . 58.3 t -73.69 -43.32 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.877 -0.416 . . . . 0.35 109.877 175.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' 1861 ' ' ALA . 69.3 mt -61.09 -37.66 83.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.35 110.59 177.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -59.67 -24.49 63.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.798 -0.637 . . . . 0.4 111.607 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.97 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.46 110.796 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.66 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.2 mm? -72.35 -51.21 21.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.5 110.582 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -62.62 -19.17 63.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 1.7 111.585 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.028 -0.533 . . . . 0.93 111.028 178.015 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.3 0.571 . . . . 0.74 109.794 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.99 -36.27 80.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.49 -0.777 . . . . 0.87 110.773 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 8.7 t -60.56 -39.97 89.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.97 110.274 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 57.1 mt -63.94 -49.18 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.32 110.212 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 8.9 m -60.11 -45.72 92.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.61 110.94 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.75 -36.77 85.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.336 -0.393 . . . . 2.49 110.808 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -63.01 -28.23 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.34 111.577 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.24 -47.92 79.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.114 0.483 . . . . 0.49 110.42 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -66.09 -37.41 85.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.584 -0.734 . . . . 0.72 112.545 -172.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -62.4 -28.84 70.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.919 0.39 . . . . 1.0 111.467 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.638 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 91.0 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.79 111.204 -177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 60.7 t80 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 120.643 0.259 . . . . 0.68 110.416 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 5.3 p -60.49 -34.22 57.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.333 -0.394 . . . . 0.79 111.321 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.32 -53.02 62.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.974 0.416 . . . . 1.71 110.532 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -67.54 -35.77 79.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.203 -0.453 . . . . 1.07 110.809 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.624 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.9 tt0 -57.05 -56.83 16.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.223 -0.444 . . . . 0.99 110.968 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.418 ' HA ' HG22 ' A' 1858 ' ' VAL . 3.7 t -63.47 -28.04 69.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 1.46 110.473 -176.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 33.3 m -74.76 -43.47 54.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.166 0.508 . . . . 0.42 110.421 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.2 mtp -69.95 -43.87 70.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.71 111.656 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.639 ' O ' ' HG2' ' A' 1862 ' ' LYS . 33.5 m -63.64 -38.21 81.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.478 -0.489 . . . . 0.29 110.871 -177.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -64.45 -43.05 95.47 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.042 0.449 . . . . 3.02 110.589 176.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.439 ' HB ' HD21 ' A' 1896 ' ' LEU . 38.7 m -67.3 -33.46 75.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.032 -0.531 . . . . 0.35 110.278 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.93 -38.38 90.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.25 110.222 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' 1858 ' ' VAL . 60.0 mmtt -61.26 -40.22 93.28 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.314 -0.625 . . . . 1.31 109.314 174.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.29 -40.64 81.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.161 -0.927 . . . . 0.41 111.674 -177.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.749 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -73.17 -28.48 26.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.227 -0.589 . . . . 0.28 109.789 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.778 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.47 -42.42 71.44 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.187 -0.46 . . . . 0.2 111.088 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.491 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.6 p -67.89 -27.61 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.312 -0.555 . . . . 0.73 109.883 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 92.0 m -68.27 -52.83 29.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.006 -0.543 . . . . 0.25 110.743 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.742 HG23 HD11 ' A' 1930 ' ' LEU . 2.9 p -65.03 -36.51 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.157 -0.217 . . . . 0.28 111.054 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.491 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -69.36 -26.49 64.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.148 0.499 . . . . 0.91 109.744 177.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.4 -35.39 54.36 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.739 -0.467 . . . . 0.57 109.739 176.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . . . . . . . . . 27.7 mmm -60.27 -49.1 78.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.549 -0.296 . . . . 1.25 111.105 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.495 HG23 HG23 ' A' 1951 ' ' ILE . 4.8 p -62.56 -41.56 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.433 0.635 . . . . 0.59 110.706 178.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 42.6 m -67.85 -46.04 72.87 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.194 -0.912 . . . . 0.44 111.193 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 1.006 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -66.97 -31.06 71.39 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 116.457 -0.338 . . . . 1.4 111.736 -178.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 56.1 m -62.13 -24.77 67.35 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 120.237 -0.585 . . . . 1.11 110.898 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -81.86 -32.92 30.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.872 -0.604 . . . . 0.76 111.698 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 3.5 p -109.73 -45.71 3.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.125 0.787 . . . . 1.32 113.125 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 71.5 m -143.14 87.61 8.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.327 -0.397 . . . . 1.17 111.061 -169.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -70.32 -2.27 10.3 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.72 2.28 . . . . 0.67 112.604 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.3 -24.5 37.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.037 0.446 . . . . 2.24 110.681 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' 1885 ' ' LEU . 49.7 mm-40 -81.02 -10.73 59.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 1.89 111.822 -176.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.506 HD12 HD12 ' A' 1937 ' ' LEU . 74.2 mt -64.43 -34.66 78.7 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.042 0.386 . . . . 0.34 112.042 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -61.75 -55.47 28.38 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 120.544 -0.836 . . . . 0.38 112.778 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.28 -39.17 86.9 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.694 2.263 . . . . 0.58 112.871 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.468 HD11 ' HG3' ' A' 1874 ' ' LYS . 75.6 mt -70.41 -45.24 66.32 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.03 -0.268 . . . . 0.37 110.951 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . 0.47 ' HB1' HG12 ' A' 1931 ' ' VAL . . . -57.8 -32.38 67.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.169 0.509 . . . . 0.36 109.984 173.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -68.44 -48.18 65.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 1.43 110.575 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -65.98 -41.93 90.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.734 -0.666 . . . . 1.07 110.533 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 55.1 tp -56.51 -42.38 78.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.238 0.542 . . . . 0.25 109.719 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 36.7 m -63.46 -46.66 85.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.428 -0.805 . . . . 0.28 111.344 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 11.0 t -66.48 -49.87 65.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 1.17 111.359 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.85 -28.68 66.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.214 -0.448 . . . . 0.8 111.796 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 46.3 t80 -64.67 -41.51 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.93 -0.308 . . . . 0.31 110.653 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -68.15 -33.93 79.74 Favored Glycine 0 CA--C 1.505 -0.538 0 N-CA-C 110.306 -1.118 . . . . 0.31 110.306 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.73 -45.1 94.32 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.382 -0.909 . . . . 3.04 110.14 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.439 HD21 ' HB ' ' A' 1860 ' ' THR . 28.7 mt -59.33 -51.56 69.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.86 110.98 174.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . 0.435 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -60.46 -43.91 96.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.87 -0.605 . . . . 0.49 112.197 -176.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 73.1 m -61.9 -39.94 93.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.807 -0.179 . . . . 1.38 111.314 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.4 ' C ' ' HD2' ' A' 1902 ' ' PRO . 19.3 mt-30 -77.29 -23.82 51.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.647 0.261 . . . . 1.56 111.525 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.46 -32.23 73.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.34 111.931 -177.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.747 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 9.1 mtpm? -64.76 -55.55 27.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.679 -0.237 . . . . 2.27 111.338 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.747 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 33.9 Cg_exo -59.93 -31.38 93.6 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.019 1.812 . . . . 0.6 112.208 173.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.28 96.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.39 110.645 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -64.71 -43.95 91.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.99 -0.55 . . . . 0.46 111.427 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' 1902 ' ' PRO . 11.8 p -75.56 -28.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.534 -0.303 . . . . 1.26 111.427 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.29 -13.96 56.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.64 110.95 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.45 142.39 56.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.036 -0.529 . . . . 0.85 110.662 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.77 -1.8 44.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.17 0.509 . . . . 2.67 110.738 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.513 ' HB3' HG12 ' A' 1912 ' ' ILE . 53.4 t-20 -141.26 128.18 20.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.196 -0.668 . . . . 2.18 109.196 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -66.26 -33.84 76.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.66 0.267 . . . . 2.24 110.782 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.3 -35.42 77.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 2.49 110.342 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.533 ' O ' HG13 ' A' 1916 ' ' ILE . 47.2 mm -66.05 -51.08 64.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.905 -0.588 . . . . 0.89 110.059 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.54 -40.67 99.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.918 -0.658 . . . . 0.51 112.248 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' A' 1917 ' ' LYS . . . -64.33 -39.66 94.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.996 0.427 . . . . 0.46 110.541 176.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.459 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.6 t-80 -65.87 -37.96 87.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.104 -0.498 . . . . 1.62 109.984 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' 1912 ' ' ILE . 92.1 mt -63.15 -55.3 24.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.198 -0.456 . . . . 0.4 110.811 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.654 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.9 ptpt -60.37 -40.24 90.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.36 111.055 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . 0.458 ' N ' ' HG3' ' A' 1917 ' ' LYS . 27.4 m170 -70.3 -26.68 63.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.607 -0.27 . . . . 1.91 111.592 -175.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.801 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 23.2 mmt180 -79.44 -26.59 41.76 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.827 -0.349 . . . . 2.55 110.947 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' 1916 ' ' ILE . 28.9 t -72.86 -28.43 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.086 -0.709 . . . . 0.35 109.086 172.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' 1917 ' ' LYS . 20.3 mm-40 -62.03 -40.71 96.65 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.337 -0.616 . . . . 1.22 109.337 172.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.923 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 1.6 mt-10 -55.51 -49.74 71.8 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.418 -0.81 . . . . 1.49 109.734 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.15 -41.64 97.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.196 -0.911 . . . . 0.67 111.02 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.59 -45.93 66.87 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.25 -0.5 . . . . 0.64 112.782 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -75.53 -41.03 56.1 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.93 -0.308 . . . . 0.69 110.636 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.98 -52.34 28.99 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.977 -0.63 . . . . 0.25 112.842 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 77.3 m -62.66 -37.69 87.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.596 0.198 . . . . 1.22 111.056 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 23.4 t -58.28 -47.83 82.4 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.231 0.539 . . . . 1.03 109.994 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.17 95.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.572 -0.74 . . . . 0.28 110.532 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.742 HD11 HG23 ' A' 1868 ' ' VAL . 1.6 mt -59.31 -53.22 60.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.797 -0.638 . . . . 0.28 111.577 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . 0.47 HG12 ' HB1' ' A' 1886 ' ' ALA . 26.7 m -66.18 -34.76 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.26 110.893 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 92.0 m -68.1 -43.26 78.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.139 -0.482 . . . . 0.8 110.838 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.501 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.9 tptt -67.85 -40.19 83.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 1.27 110.177 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -61.86 -37.95 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.3 111.159 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.23 -41.07 96.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.757 -0.735 . . . . 0.4 111.753 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.96 -33.71 63.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.952 0.406 . . . . 0.5 110.641 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.506 HD12 HD12 ' A' 1882 ' ' LEU . 2.8 tm? -69.6 -36.47 76.25 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 116.117 -0.492 . . . . 0.41 110.08 -177.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -70.48 -26.31 63.56 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.445 -0.502 . . . . 1.06 111.225 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.0 m -77.24 -29.35 54.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.963 0.411 . . . . 1.43 110.259 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 5.2 m -135.23 69.29 69.32 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.05 -0.523 . . . . 0.8 109.804 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.21 -6.42 17.29 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.605 2.204 . . . . 0.69 112.401 -174.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 49.7 m -108.76 9.06 27.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.669 -0.696 . . . . 1.54 111.061 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -91.3 111.83 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.851 -0.425 . . . . 1.16 109.851 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 31.1 m -67.42 -36.85 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.33 111.728 -174.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 51.0 t80 -63.61 -50.47 69.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.946 -0.57 . . . . 1.91 111.027 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.423 ' HA ' ' HE3' ' A' 1933 ' ' LYS . 32.0 m -61.77 -41.9 98.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.267 -0.424 . . . . 0.6 110.917 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.425 ' HB2' HD21 ' A' 1937 ' ' LEU . 38.6 ttpt -66.09 -45.63 80.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 1.2 110.603 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 83.9 tttt -57.22 -46.13 83.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.834 -0.621 . . . . 2.67 110.838 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.501 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 28.2 mt-10 -64.5 -37.63 88.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 1.53 111.461 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.34 -37.89 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.806 -0.442 . . . . 0.31 109.806 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.495 HG23 HG23 ' A' 1872 ' ' VAL . 76.7 mt -58.31 -46.79 88.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.799 -0.445 . . . . 0.35 109.799 173.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' 1956 ' ' ARG . 25.6 mm-40 -59.23 -48.37 81.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.901 -0.59 . . . . 2.11 110.847 175.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' 1957 ' ' VAL . 81.8 m -57.29 -45.13 84.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.88 110.688 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.412 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -61.36 -43.64 98.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.25 111.07 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.498 ' O ' ' HG3' ' A' 1959 ' ' GLU . 57.7 mtp180 -61.16 -41.97 97.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.45 . . . . 3.21 110.358 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' 1960 ' ' LYS . 77.8 mtp180 -64.57 -43.49 93.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.061 -0.518 . . . . 3.16 111.135 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.656 ' HB ' HG21 ' A' 1868 ' ' VAL . 87.6 t -66.08 -38.44 82.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.543 -0.299 . . . . 0.3 110.823 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 35.1 t -56.19 -37.3 69.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 1.13 110.215 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' 1955 ' ' ARG . 38.1 mt-10 -69.82 -33.38 72.24 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.099 -0.501 . . . . 1.86 110.433 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.923 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.2 mmtt -67.2 -35.85 80.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.863 -0.608 . . . . 0.65 110.159 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.778 HG11 ' HB2' ' A' 1865 ' ' ALA . 43.9 t -58.28 -46.16 89.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.381 -0.372 . . . . 0.27 110.564 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 47.9 t -59.71 -37.4 78.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 1.3 110.053 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.801 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 24.8 m170 -65.03 -41.08 95.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.521 . . . . 1.11 110.871 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' 1960 ' ' LYS . 61.5 t -69.01 -45.33 80.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.35 110.56 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.7 -45.34 94.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.175 -0.466 . . . . 0.35 110.665 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.79 66.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 0.4 111.189 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.56 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.46 110.382 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.624 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -70.01 -46.28 65.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.054 -0.521 . . . . 0.5 110.48 176.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -63.03 -21.73 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 1.7 111.835 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 121.028 0.442 . . . . 0.93 110.617 176.794 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.233 0.213 0 CA-C-O 121.15 0.5 . . . . 0.74 110.077 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.36 -30.46 71.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.712 -0.677 . . . . 0.87 110.456 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 46.1 m -66.29 -32.39 73.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.97 110.67 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.521 HG23 ' CE2' ' A' 1893 ' ' TYR . 66.7 mt -70.11 -46.17 73.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.089 -0.505 . . . . 0.32 110.097 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 4.4 m -65.71 -37.87 87.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.846 -0.616 . . . . 0.61 110.441 177.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -58.15 -43.41 87.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.329 -0.851 . . . . 2.49 109.847 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.558 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -61.27 -36.33 79.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.11 -0.95 . . . . 0.34 111.501 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . 0.677 ' HA ' HE22 ' A' 1921 ' ' GLN . 34.7 mt -62.6 -40.43 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 0.49 110.54 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' 1836 ' ' ASN . 0.9 OUTLIER -77.24 -40.27 45.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.057 -0.52 . . . . 0.72 111.108 -175.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . 0.558 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.3 pt20 -64.09 -31.82 73.15 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.642 0.238 . . . . 1.0 111.642 -175.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 83.0 mt . . . . . 0 C--N 1.326 -0.419 0 CA-C-O 120.805 0.336 . . . . 0.79 110.729 -178.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' A' 1906 ' ' ALA . 45.5 t80 . . . . . 0 N--CA 1.457 -0.109 0 N-CA-C 110.202 -0.296 . . . . 0.68 110.202 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 4.9 p -57.77 -38.75 67.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.12 -0.491 . . . . 0.79 111.579 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . 0.412 ' O ' HG22 ' A' 1855 ' ' THR . 13.9 t70 -64.35 -55.67 19.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.896 0.379 . . . . 1.71 110.514 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -63.83 -36.75 84.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 1.07 110.579 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.654 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.7 tt0 -58.63 -55.74 31.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.5 . . . . 0.99 110.944 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.412 HG22 ' O ' ' A' 1852 ' ' ASP . 1.5 t -64.68 -26.09 68.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.485 . . . . 1.46 110.618 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 16.5 m -75.54 -46.08 34.23 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.359 -0.382 . . . . 0.42 110.029 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.4 mtp -66.21 -45.84 79.33 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.71 111.982 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.719 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.8 m -60.08 -37.29 72.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.71 -0.396 . . . . 0.29 111.227 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -71.89 -42.07 67.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.798 0.332 . . . . 3.02 110.755 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.485 ' HB ' HD21 ' A' 1896 ' ' LEU . 16.6 m -65.87 -35.06 79.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.35 110.591 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.538 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.02 -43.18 96.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.25 110.585 176.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' 1858 ' ' VAL . 63.4 mttm -61.77 -32.35 72.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.984 0.421 . . . . 1.31 110.636 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.47 82.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.41 111.169 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.749 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.84 -26.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.374 -0.53 . . . . 0.28 109.946 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.889 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -72.08 -41.33 67.47 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.263 -0.426 . . . . 0.2 111.499 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.4 p -66.78 -27.77 40.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.165 0.507 . . . . 0.73 109.832 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 85.2 m -71.52 -45.84 61.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.61 . . . . 0.25 110.986 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.836 HG21 ' HB ' ' A' 1957 ' ' VAL . 3.9 p -71.65 -33.67 49.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 O-C-N 122.292 -0.255 . . . . 0.28 111.379 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -69.46 -26.39 64.56 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.185 -0.672 . . . . 0.91 109.185 175.574 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' 1869 ' ' GLN . 7.1 tp10 -75.47 -35.67 60.81 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.634 -0.712 . . . . 0.57 109.907 176.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.57 ' SD ' HD22 ' A' 1882 ' ' LEU . 4.9 mmt -51.49 -56.4 13.53 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.11 -0.495 . . . . 1.25 111.838 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.537 HG23 HG23 ' A' 1951 ' ' ILE . 8.6 p -59.04 -36.95 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 0.59 110.894 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 99.1 m -75.18 -42.39 55.94 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.099 -0.955 . . . . 0.44 111.238 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.825 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -74.6 -34.52 62.86 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.531 -0.304 . . . . 1.4 111.653 -178.641 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 24.6 t -60.83 -27.39 68.03 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.184 0.516 . . . . 1.11 110.408 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -81.86 -26.65 34.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.781 -0.645 . . . . 0.76 111.787 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 7.4 p -109.52 -45.98 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.097 0.777 . . . . 1.32 113.097 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.2 t -149.36 98.47 3.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.53 -0.544 . . . . 1.17 109.53 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.97 -19.32 63.83 Favored 'Trans proline' 0 C--N 1.339 0.073 0 C-N-CA 122.805 2.337 . . . . 0.67 112.823 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.58 -15.54 59.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.781 0.324 . . . . 2.24 111.294 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.698 ' O ' ' HG ' ' A' 1885 ' ' LEU . 37.5 mm-40 -76.23 -19.74 58.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.799 0.333 . . . . 1.89 110.447 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.57 HD22 ' SD ' ' A' 1871 ' ' MET . 88.4 mt -67.18 -32.97 74.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.923 -0.58 . . . . 0.34 111.699 -174.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -61.82 -55.57 27.66 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.714 -0.755 . . . . 0.38 112.692 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -54.4 -38.47 89.33 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.664 2.243 . . . . 0.58 112.498 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.7 mt -69.68 -43.07 73.27 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.718 0.294 . . . . 0.37 110.498 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.29 -31.95 69.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.173 0.511 . . . . 0.36 109.914 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.03 -46.06 58.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.589 -0.732 . . . . 1.43 110.446 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -67.32 -42.22 84.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 1.07 110.621 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 42.3 tp -58.5 -35.89 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.154 0.502 . . . . 0.25 109.823 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 47.9 m -68.22 -51.8 41.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.576 -0.738 . . . . 0.28 111.233 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 65.1 p -63.95 -47.89 78.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.293 0.568 . . . . 1.17 111.257 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.415 ' CB ' HG22 ' A' 1864 ' ' ILE . 1.4 m-20 -66.15 -32.66 74.24 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.347 -0.842 . . . . 0.8 111.583 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . 0.521 ' CE2' HG23 ' A' 1831 ' ' ILE . 66.4 t80 -65.8 -43.22 89.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.733 0.301 . . . . 0.31 110.42 176.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.61 -29.15 63.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.013 -0.613 . . . . 0.31 112.087 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -70.14 -46.67 64.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.149 -0.315 . . . . 3.04 110.149 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.485 HD21 ' HB ' ' A' 1860 ' ' THR . 17.2 mt -60.48 -39.75 88.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.327 -0.397 . . . . 0.86 110.974 176.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.43 72.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.027 -0.533 . . . . 0.49 111.339 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 36.8 t -74.37 -36.83 63.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.14 -0.482 . . . . 1.38 110.431 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -75.77 -30.68 59.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.948 -0.569 . . . . 1.56 111.526 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . 0.405 ' HB2' HG21 ' A' 1920 ' ' VAL . . . -65.0 -35.88 82.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.355 0.502 . . . . 0.34 112.355 -175.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . . . . . . . . . 47.7 mttm -56.37 -58.74 14.96 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.166 0.432 . . . . 2.27 112.166 -178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.63 -29.18 13.34 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 121.737 1.625 . . . . 0.6 112.632 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.81 99.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.39 111.018 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . 0.405 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -62.6 -42.54 99.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 0.46 111.723 -178.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 7.9 p -77.04 -27.38 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.352 -0.386 . . . . 1.26 111.618 -177.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -93.94 0.5 56.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.652 0.263 . . . . 0.64 111.578 -176.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . 0.415 ' HA ' ' CD1' ' A' 1850 ' ' PHE . . . -67.34 155.55 38.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.457 . . . . 0.85 111.568 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -61.21 -51.54 68.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.662 -0.699 . . . . 2.67 111.747 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.777 ' HB2' HD13 ' A' 1912 ' ' ILE . 65.7 m-20 -116.37 159.99 21.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.49 -0.323 . . . . 2.18 110.354 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.07 -33.93 76.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 2.24 110.908 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.34 -44.72 78.36 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.855 0.36 . . . . 2.49 110.239 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.777 HD13 ' HB2' ' A' 1909 ' ' ASN . 2.0 mp -58.53 -49.48 82.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 0.89 110.187 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -62.16 -42.06 99.72 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.722 -0.752 . . . . 0.51 112.415 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.25 87.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.034 0.445 . . . . 0.46 110.753 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' A' 1919 ' ' ARG . 16.2 m-70 -68.38 -37.32 80.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 1.62 110.93 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' 1912 ' ' ILE . 70.3 mt -56.56 -54.96 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.592 0.234 . . . . 0.4 111.197 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.524 ' O ' ' HG2' ' A' 1921 ' ' GLN . 19.7 ptpt -63.15 -34.6 77.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 1.36 110.85 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -71.36 -37.7 71.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.052 0.39 . . . . 1.91 112.052 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.699 ' HA ' ' HG3' ' A' 1922 ' ' GLU . 37.9 mmt180 -70.15 -29.3 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.771 0.32 . . . . 2.55 111.508 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.405 HG21 ' HB2' ' A' 1900 ' ' ALA . 39.9 t -71.69 -27.86 29.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.097 0.475 . . . . 0.35 110.085 178.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.677 HE22 ' HA ' ' A' 1835 ' ' ILE . 0.0 OUTLIER -68.68 -25.66 64.91 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.717 -0.475 . . . . 1.22 109.717 177.471 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.736 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 9.0 mt-10 -67.16 -45.2 77.72 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.0 -0.546 . . . . 1.49 109.714 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.666 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.2 mt -66.67 -30.43 70.68 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.805 -0.813 . . . . 0.67 108.805 173.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -56.36 -31.38 59.63 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.792 -0.718 . . . . 0.64 112.128 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -94.58 -42.96 8.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.673 0.273 . . . . 0.69 110.817 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.65 -55.11 12.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.843 -0.694 . . . . 0.25 112.626 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 87.7 m -61.36 -37.75 84.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.281 0.232 . . . . 1.22 110.861 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' 1924 ' ' GLY . 9.2 t -62.69 -46.34 88.62 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.989 0.424 . . . . 1.03 110.023 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.86 93.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.28 110.646 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.6 HD12 HG21 ' A' 1957 ' ' VAL . 0.4 OUTLIER -61.65 -53.07 61.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.28 110.785 -178.475 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' 1886 ' ' ALA . 28.9 m -63.04 -38.13 81.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.773 0.32 . . . . 0.26 110.793 -178.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 98.3 m -62.44 -45.97 90.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.224 0.535 . . . . 0.8 110.385 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.532 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.8 tptt -67.25 -38.22 84.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.481 -0.781 . . . . 1.27 110.852 -176.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -60.51 -42.39 96.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.603 -0.271 . . . . 0.3 111.449 177.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.33 98.01 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.479 -0.867 . . . . 0.4 111.587 176.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.24 -23.77 59.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.861 0.362 . . . . 0.5 111.032 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.553 HD12 HD12 ' A' 1882 ' ' LEU . 2.7 tm? -77.43 -34.98 54.45 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.509 -0.552 . . . . 0.41 109.509 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -69.95 -25.97 63.9 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.302 -0.559 . . . . 1.06 110.043 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 35.3 t -77.38 -17.89 57.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.342 -0.844 . . . . 1.43 110.423 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 22.9 m -150.95 67.57 7.81 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.8 110.14 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -67.42 -15.71 46.04 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.704 2.269 . . . . 0.69 113.089 -173.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 23.1 t -104.69 5.89 33.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.281 -0.418 . . . . 1.54 110.711 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -89.65 112.87 24.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.734 0.302 . . . . 1.16 110.527 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 13.6 m -64.31 -37.69 80.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.049 -0.523 . . . . 1.33 112.062 -176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.48 ' O ' ' HG3' ' A' 1949 ' ' GLU . 36.2 t80 -60.29 -52.2 66.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.717 0.294 . . . . 1.91 110.464 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 32.4 m -63.35 -44.1 95.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.6 111.289 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.51 -47.27 82.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 1.2 111.005 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.56 -41.2 89.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 2.67 110.782 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.532 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 49.5 mt-10 -66.08 -36.04 82.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 1.53 111.007 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.3 -39.67 85.96 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.927 -0.398 . . . . 0.31 109.927 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.581 ' O ' ' HG3' ' A' 1955 ' ' ARG . 81.2 mt -57.62 -44.33 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 0.35 109.845 175.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -62.18 -42.96 99.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.826 -0.625 . . . . 2.11 111.057 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.54 ' O ' HG23 ' A' 1957 ' ' VAL . 71.8 m -59.31 -44.51 92.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.88 110.414 177.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.86 89.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.25 110.889 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' 1951 ' ' ILE . 82.2 mtp180 -60.65 -46.47 90.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.512 . . . . 3.21 110.456 177.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.556 ' O ' ' HG2' ' A' 1960 ' ' LYS . 46.7 mtm180 -64.65 -43.7 92.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.734 -0.666 . . . . 3.16 111.269 -178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.836 ' HB ' HG21 ' A' 1868 ' ' VAL . 61.4 t -62.79 -44.73 99.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.595 0.236 . . . . 0.3 110.569 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 41.9 m -55.91 -37.56 69.07 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.282 -0.417 . . . . 1.13 110.804 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.456 ' O ' ' HD2' ' A' 1963 ' ' HIS . 47.2 mt-10 -60.85 -51.36 69.65 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.148 0.499 . . . . 1.86 110.335 176.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.736 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.2 mmtt -59.42 -37.66 78.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.268 -0.878 . . . . 0.65 111.382 -173.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.889 HG11 ' HB2' ' A' 1865 ' ' ALA . 23.8 t -55.51 -44.99 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.053 0.454 . . . . 0.27 110.473 178.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 22.7 t -62.94 -37.94 89.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.756 -0.656 . . . . 1.3 110.125 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.567 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 75.5 m-70 -67.38 -40.39 85.69 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.247 -0.433 . . . . 1.11 110.425 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' 1919 ' ' ARG . 62.3 t -62.31 -50.62 79.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.089 0.471 . . . . 0.35 110.102 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.21 -36.1 74.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.738 -0.665 . . . . 0.35 110.907 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.01 85.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.415 -0.357 . . . . 0.4 111.033 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.78 99.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.368 -0.378 . . . . 0.46 111.252 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.654 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.0 mm? -68.84 -51.69 37.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.5 111.098 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -14.93 63.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.168 -0.469 . . . . 1.7 111.706 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.963 0.411 . . . . 0.93 110.898 175.575 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.235 0.322 0 CA-C-O 121.091 0.472 . . . . 0.74 111.246 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.42 -44.46 78.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.25 0.548 . . . . 0.87 110.322 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 14.8 m -64.59 -38.55 91.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.513 -0.767 . . . . 0.97 111.055 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 80.6 mt -60.41 -44.53 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.141 0.496 . . . . 0.32 110.601 177.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 34.3 m -64.7 -32.98 74.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.84 -0.618 . . . . 0.61 111.166 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.56 -39.12 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.777 -0.453 . . . . 2.49 109.777 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -62.19 -32.72 73.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.845 -0.616 . . . . 0.34 111.2 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . 0.516 ' HA ' HE22 ' A' 1921 ' ' GLN . 43.5 mt -64.79 -51.32 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.49 110.347 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -65.94 -30.27 70.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.664 -0.698 . . . . 0.72 112.27 -173.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' 1834 ' ' ALA . 11.4 pt20 -72.07 -34.69 68.89 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.075 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' 1917 ' ' LYS . 74.4 mt . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.79 111.159 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.479 ' HE1' HD11 ' A' 1916 ' ' ILE . 87.1 t80 . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 110.236 -0.283 . . . . 0.68 110.236 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.9 p -62.34 -36.35 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.79 111.137 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.9 -48.36 76.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.075 0.464 . . . . 1.71 110.365 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.417 ' HD1' ' HB3' ' A' 1899 ' ' GLN . 50.4 m-85 -67.78 -42.42 81.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.039 -0.528 . . . . 1.07 110.708 176.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.654 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 56.8 tt0 -56.32 -55.46 33.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.829 -0.623 . . . . 0.99 111.414 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' 1859 ' ' ARG . 10.9 t -60.47 -28.18 68.13 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.35 -0.386 . . . . 1.46 110.633 -177.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 33.9 m -78.0 -51.69 9.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.203 -0.453 . . . . 0.42 110.825 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 81.9 mtp -60.66 -41.38 94.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.518 . . . . 0.71 112.092 -176.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.716 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -62.81 -31.73 53.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.461 -0.495 . . . . 0.29 111.072 -178.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' 1855 ' ' THR . 34.4 mtt180 -70.89 -44.02 67.17 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.02 0.438 . . . . 3.02 110.15 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.431 ' HB ' HD21 ' A' 1896 ' ' LEU . 32.0 m -66.18 -34.74 78.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.648 -0.706 . . . . 0.35 110.756 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.516 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.36 -43.58 98.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.425 -0.352 . . . . 0.25 110.447 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.716 ' HG3' ' O ' ' A' 1858 ' ' VAL . 83.4 mttt -61.83 -35.03 77.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.252 0.549 . . . . 1.31 110.056 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.58 -42.67 77.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.658 -0.701 . . . . 0.41 111.459 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.727 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -72.32 -26.16 24.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.292 -0.563 . . . . 0.28 109.652 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.827 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.98 -40.48 78.77 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.892 -0.595 . . . . 0.2 111.267 178.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.488 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.6 p -73.79 -27.37 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.161 -0.616 . . . . 0.73 109.836 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.519 HG21 ' HB2' ' A' 1889 ' ' LEU . 61.7 m -64.85 -50.55 66.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.05 -0.523 . . . . 0.25 110.55 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.736 HG23 HD11 ' A' 1930 ' ' LEU . 2.8 p -66.3 -37.59 80.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.698 -0.228 . . . . 0.28 111.287 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.488 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.76 -26.89 67.19 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.757 -0.46 . . . . 0.91 109.757 178.42 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.445 ' HG3' ' HG3' ' A' 1874 ' ' LYS . 5.1 tp10 -77.4 -43.57 32.2 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 109.689 -0.486 . . . . 0.57 109.689 176.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.444 ' SD ' ' HB2' ' A' 1885 ' ' LEU . 34.7 mmm -58.03 -47.76 82.12 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.292 -0.413 . . . . 1.25 111.606 -177.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.538 HG23 ' HA ' ' A' 1951 ' ' ILE . 12.3 p -60.32 -33.44 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.409 0.623 . . . . 0.59 110.571 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 92.9 m -80.57 -47.95 13.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.253 -0.885 . . . . 0.44 111.281 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.445 ' HG3' ' HG3' ' A' 1870 ' ' GLU . 7.9 mmpt? -63.08 -28.61 70.19 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.181 -0.463 . . . . 1.4 111.643 -176.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 48.8 m -56.9 -24.12 49.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.075 0.464 . . . . 1.11 111.246 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -81.26 -38.89 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.999 -0.546 . . . . 0.76 111.796 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 68.5 p -108.71 -33.01 7.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.569 0.581 . . . . 1.32 112.569 -172.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.3 m -145.22 83.25 9.3 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.238 -0.437 . . . . 1.17 110.972 -165.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.3 -31.36 53.07 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.343 2.028 . . . . 0.67 112.478 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.99 -28.26 66.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.443 -0.344 . . . . 2.24 111.573 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.44 -11.0 60.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.739 0.304 . . . . 1.89 111.095 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.03 -26.04 65.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.228 -0.442 . . . . 0.34 110.72 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.39 -55.69 17.07 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.412 -0.899 . . . . 0.38 112.697 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.74 -39.85 78.32 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.672 2.248 . . . . 0.58 112.742 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.444 ' HB2' ' SD ' ' A' 1871 ' ' MET . 74.3 mt -69.73 -43.84 71.51 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.564 -0.289 . . . . 0.37 110.826 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.53 -34.84 67.42 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.091 0.472 . . . . 0.36 110.296 174.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -69.08 -44.75 71.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.653 -0.703 . . . . 1.43 110.587 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.45 -41.88 83.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.158 -0.474 . . . . 1.07 110.484 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.519 ' HB2' HG21 ' A' 1867 ' ' THR . 54.2 tp -57.04 -39.84 75.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.218 0.532 . . . . 0.25 109.693 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 54.7 m -71.12 -44.0 66.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.305 -0.861 . . . . 0.28 111.811 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 50.5 p -72.32 -51.37 21.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.791 0.329 . . . . 1.17 111.036 -175.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.63 -39.34 76.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.102 -0.499 . . . . 0.8 110.811 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 51.1 t80 -64.12 -44.19 92.96 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.656 0.265 . . . . 0.31 110.867 176.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.67 -37.51 83.68 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.888 -0.673 . . . . 0.31 111.619 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -65.74 -45.84 81.09 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.114 -0.328 . . . . 3.04 110.114 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.431 HD21 ' HB ' ' A' 1860 ' ' THR . 42.8 mt -52.92 -51.75 60.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.86 110.475 174.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . 0.473 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -63.21 -30.94 71.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.631 . . . . 0.49 111.802 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . 0.434 ' O ' ' HD2' ' A' 1902 ' ' PRO . 49.9 m -71.18 -60.16 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.769 -0.196 . . . . 1.38 110.744 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.417 ' HB3' ' HD1' ' A' 1853 ' ' TYR . 1.1 mp0 -63.21 -24.5 67.91 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.405 0.52 . . . . 1.56 112.405 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.9 -31.0 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.088 0.403 . . . . 0.34 112.088 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.431 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 77.9 tttt -70.06 -55.26 8.58 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.536 -0.302 . . . . 2.27 111.327 -174.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' 1898 ' ' SER . 25.7 Cg_endo -64.75 -29.25 59.62 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 121.916 1.744 . . . . 0.6 112.166 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.67 87.02 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.977 0.418 . . . . 0.39 110.367 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . 0.505 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -62.67 -43.81 97.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.529 -0.76 . . . . 0.46 111.479 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 9.2 p -76.77 -27.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 1.26 111.263 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -67.91 -29.33 68.39 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.021 0.439 . . . . 0.64 110.705 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.97 148.04 51.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.759 -0.655 . . . . 0.85 110.038 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.45 -24.98 29.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 2.67 110.532 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.693 ' HB2' HG12 ' A' 1912 ' ' ILE . 90.4 m-20 -97.66 123.05 41.42 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.768 -0.456 . . . . 2.18 109.768 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.84 -35.63 75.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.169 0.509 . . . . 2.24 109.888 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' 1915 ' ' HIS . 2.0 mp0 -62.52 -34.81 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.747 -0.66 . . . . 2.49 110.855 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.693 HG12 ' HB2' ' A' 1909 ' ' ASN . 46.5 mm -66.45 -47.0 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.52 -0.548 . . . . 0.89 109.52 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -60.15 -44.34 97.46 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.652 -0.704 . . . . 0.51 111.965 176.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.9 94.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.255 0.55 . . . . 0.46 110.116 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' 1911 ' ' GLU . 2.9 t-160 -62.25 -40.16 95.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.886 -1.052 . . . . 1.62 110.544 -177.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' 1920 ' ' VAL . 93.2 mt -62.0 -55.33 24.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.364 -0.38 . . . . 0.4 110.796 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.593 ' O ' ' HG2' ' A' 1921 ' ' GLN . 46.5 mtmt -61.62 -46.11 91.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.583 . . . . 1.36 111.049 -176.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -65.64 -29.25 69.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.765 -0.652 . . . . 1.91 112.038 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.457 ' HA ' ' HD3' ' A' 1919 ' ' ARG . 25.2 mmt180 -78.62 -26.48 45.28 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.695 -0.402 . . . . 2.55 110.889 177.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' 1916 ' ' ILE . 59.6 t -72.55 -30.53 34.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.248 -0.649 . . . . 0.35 109.248 173.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' 1917 ' ' LYS . 22.7 mm-40 -62.34 -31.27 71.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.677 -0.692 . . . . 1.22 110.055 174.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' 1919 ' ' ARG . 17.0 mm-40 -56.73 -51.42 68.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.892 -0.595 . . . . 1.49 110.335 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.664 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 14.2 mt -69.9 -25.98 63.95 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 109.389 -0.597 . . . . 0.67 109.389 177.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . 0.481 ' O ' HD11 ' A' 1835 ' ' ILE . . . -56.11 -31.66 59.16 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.954 -0.641 . . . . 0.64 112.361 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -99.09 -39.25 8.6 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.938 -0.305 . . . . 0.69 110.527 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.26 -52.73 25.51 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.859 -0.686 . . . . 0.25 112.502 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 92.5 m -64.49 -34.62 78.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.788 0.328 . . . . 1.22 110.387 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . 0.474 ' HB2' ' O ' ' A' 1924 ' ' GLY . 16.4 t -60.51 -49.97 75.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.45 0.643 . . . . 1.03 109.84 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.73 92.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.334 -0.848 . . . . 0.28 110.826 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.736 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.1 -52.25 65.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.759 -0.655 . . . . 0.28 111.004 -179.113 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 25.5 m -69.43 -32.85 54.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.425 -0.352 . . . . 0.26 111.711 -174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 12.0 t -79.03 -28.32 43.28 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.726 -0.39 . . . . 0.8 110.806 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.492 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 39.2 tptt -75.06 -32.11 61.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.906 -0.405 . . . . 1.27 109.906 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.97 69.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.874 -0.603 . . . . 0.3 110.689 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -57.21 -40.86 92.38 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.4 112.292 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -80.43 -29.81 37.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.723 0.297 . . . . 0.5 110.811 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' 1937 ' ' LEU . 2.2 tm? -70.06 -32.77 71.02 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.741 -0.466 . . . . 0.41 109.741 -177.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -77.69 -25.3 49.38 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.975 0.417 . . . . 1.06 111.166 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 21.0 t -76.52 -28.88 56.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.246 0.546 . . . . 1.43 109.627 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 25.2 m -145.9 77.24 12.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.842 -0.617 . . . . 0.8 109.882 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -65.02 -18.04 60.95 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.956 2.437 . . . . 0.69 112.678 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 44.8 t -92.85 -4.76 52.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.731 -0.668 . . . . 1.54 110.573 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -81.12 109.03 15.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.222 0.535 . . . . 1.16 110.286 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 60.7 t -66.52 -33.83 66.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.723 -0.671 . . . . 1.33 111.409 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.466 ' O ' ' HG2' ' A' 1949 ' ' GLU . 75.5 t80 -61.17 -53.04 61.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.523 -0.308 . . . . 1.91 110.715 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 40.8 m -58.19 -44.49 88.08 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.444 -0.343 . . . . 0.6 110.868 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.556 ' O ' HG13 ' A' 1951 ' ' ILE . 28.3 ttpp -61.88 -45.05 95.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 1.2 110.15 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' 1952 ' ' GLU . 32.7 ttpt -60.37 -47.57 85.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 2.67 110.603 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.492 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 56.3 mm-40 -57.58 -42.1 82.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 1.53 110.449 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.455 ' HG ' HD23 ' A' 1930 ' ' LEU . 7.8 tt -66.31 -41.58 89.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.31 110.431 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' 1947 ' ' LYS . 96.7 mt -56.93 -44.59 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.35 110.1 176.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' 1948 ' ' LYS . 7.0 mm-40 -62.34 -41.02 98.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 2.11 110.574 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.571 ' HA ' ' HE ' ' A' 1956 ' ' ARG . 73.0 m -62.17 -46.08 90.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.88 110.497 176.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.43 94.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.25 111.336 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' 1951 ' ' ILE . 82.5 mtp180 -56.87 -47.24 80.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 3.21 110.483 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' 1960 ' ' LYS . 61.7 mtm180 -60.55 -45.94 92.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.729 -0.669 . . . . 3.16 110.726 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.666 ' HB ' HG21 ' A' 1868 ' ' VAL . 63.5 t -59.05 -50.57 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.3 110.873 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 32.6 t -57.77 -35.7 71.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 1.13 110.833 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.37 -39.82 67.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 1.86 111.099 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' 1956 ' ' ARG . 28.8 mmtp -68.35 -28.14 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.428 -0.351 . . . . 0.65 111.173 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.827 HG11 ' HB2' ' A' 1865 ' ' ALA . 58.1 t -54.72 -50.03 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.953 0.406 . . . . 0.27 110.643 175.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 46.6 m -60.01 -33.04 71.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.827 -0.624 . . . . 1.3 110.909 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.411 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 65.6 m80 -71.32 -35.69 71.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 1.11 110.695 178.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' 1960 ' ' LYS . 59.7 t -66.83 -46.96 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.097 0.475 . . . . 0.35 110.095 176.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 65.9 mt -57.99 -48.19 80.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.706 -0.679 . . . . 0.35 110.284 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.19 69.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.4 111.155 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.59 -43.64 93.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.371 -0.377 . . . . 0.46 110.895 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.654 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -69.24 -49.64 54.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.5 110.651 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.04 -26.34 64.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 1.7 111.534 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.93 111.53 -179.38 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.264 0.554 . . . . 0.74 109.603 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -61.63 -41.38 97.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.538 -0.756 . . . . 0.87 110.23 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 42.4 m -60.36 -37.38 80.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.654 . . . . 0.97 111.17 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 54.9 mt -66.2 -47.17 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.943 0.401 . . . . 0.32 110.443 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 14.8 m -62.23 -43.36 98.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.94 -0.573 . . . . 0.61 110.874 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.37 -27.9 65.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.418 -0.356 . . . . 2.49 111.039 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.539 ' HB3' ' HE2' ' A' 1893 ' ' TYR . . . -67.55 -28.99 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.997 0.427 . . . . 0.34 110.702 176.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 54.5 mt -70.88 -48.8 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.421 -0.585 . . . . 0.49 109.421 171.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 30.2 m-80 -59.58 -45.0 93.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.339 -0.846 . . . . 0.72 111.686 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.4 pt20 -59.23 -34.53 72.32 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.583 0.23 . . . . 1.0 111.29 -176.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.478 HD23 ' HG2' ' A' 1901 ' ' LYS . 35.6 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.155 0.502 . . . . 0.79 110.733 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.529 ' HE1' HD11 ' A' 1916 ' ' ILE . 73.2 t80 . . . . . 0 C--O 1.227 -0.081 0 CA-C-O 120.427 0.156 . . . . 0.68 110.731 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.5 p -63.13 -37.83 80.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.788 0.328 . . . . 0.79 111.116 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.78 -51.16 52.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.433 -0.348 . . . . 1.71 110.253 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -61.28 -43.49 98.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.07 110.798 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.655 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 47.9 tt0 -54.98 -56.95 14.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.99 111.074 178.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 26.2 m -61.37 -33.54 73.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.825 -0.625 . . . . 1.46 111.07 -177.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 29.7 m -71.54 -47.1 57.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.289 -0.414 . . . . 0.42 110.674 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 85.7 mtp -65.85 -42.32 90.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.71 112.132 -175.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.694 ' O ' ' HG3' ' A' 1862 ' ' LYS . 25.6 m -64.2 -31.06 51.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.191 -0.604 . . . . 0.29 110.85 -178.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -70.22 -48.49 56.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.921 0.391 . . . . 3.02 110.529 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 15.5 m -63.46 -33.17 74.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.911 -0.586 . . . . 0.35 110.913 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.497 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.96 -39.73 94.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.25 110.739 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.3 mttt -64.66 -34.99 79.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.021 0.439 . . . . 1.31 110.029 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.26 -44.85 90.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.757 -0.656 . . . . 0.41 111.213 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.696 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -73.59 -28.2 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.41 -0.516 . . . . 0.28 109.86 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.87 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -71.15 -42.56 68.99 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.286 -0.415 . . . . 0.2 111.473 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.454 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.7 p -69.8 -23.65 25.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.297 0.57 . . . . 0.73 110.027 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 91.9 m -74.92 -47.86 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.786 -0.643 . . . . 0.25 110.899 174.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.892 HG21 ' HB ' ' A' 1957 ' ' VAL . 5.3 p -66.95 -36.36 76.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.6 0.238 . . . . 0.28 110.905 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.454 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -68.07 -26.71 65.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.28 0.562 . . . . 0.91 109.577 176.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.464 ' HG3' ' HG2' ' A' 1874 ' ' LYS . 7.7 tp10 -77.3 -31.99 55.09 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.11 -0.496 . . . . 0.57 110.085 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.503 ' SD ' HD22 ' A' 1882 ' ' LEU . 7.0 mmt -52.48 -56.13 17.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.126 -0.488 . . . . 1.25 111.86 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.424 HG23 HG23 ' A' 1951 ' ' ILE . 3.4 p -55.95 -42.41 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.343 0.592 . . . . 0.59 111.082 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 52.4 m -73.62 -40.75 63.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.305 -0.861 . . . . 0.44 111.49 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.863 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -73.57 -31.78 63.79 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.626 -0.261 . . . . 1.4 111.682 -178.295 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.64 ' HB3' ' HG3' ' A' 1947 ' ' LYS . 43.1 m -60.01 -30.15 68.96 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.556 0.693 . . . . 1.11 110.138 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -81.86 -32.94 30.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.132 -0.94 . . . . 0.76 112.16 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 4.5 p -109.21 -37.12 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.234 0.828 . . . . 1.32 113.234 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . 0.41 ' HB2' ' HD3' ' A' 1874 ' ' LYS . 75.2 m -150.08 82.49 6.46 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.412 -0.358 . . . . 1.17 110.479 -171.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.58 -20.35 69.24 Favored 'Trans proline' 0 C--N 1.34 0.095 0 C-N-CA 122.569 2.18 . . . . 0.67 112.445 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -75.76 -13.86 60.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.057 -0.52 . . . . 2.24 110.962 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' 1885 ' ' LEU . 6.3 mm-40 -80.86 -16.96 52.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.89 111.273 178.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.524 HD12 HD12 ' A' 1937 ' ' LEU . 94.6 mt -65.74 -35.5 80.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.261 -0.427 . . . . 0.34 111.814 -174.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -63.14 -55.33 26.9 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.6 -0.809 . . . . 0.38 112.479 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.61 -36.1 79.67 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.871 2.38 . . . . 0.58 112.901 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.566 HD11 ' HG3' ' A' 1874 ' ' LYS . 83.8 mt -73.23 -43.64 60.85 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.591 -0.277 . . . . 0.37 110.639 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . 0.419 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -57.05 -32.62 66.4 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.682 -0.488 . . . . 0.36 109.682 174.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.88 -48.95 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.514 -0.766 . . . . 1.43 110.748 178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -68.49 -41.72 79.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.482 -0.326 . . . . 1.07 110.85 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.515 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.7 tp -58.95 -31.12 68.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.17 0.51 . . . . 0.25 109.99 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 47.7 m -78.6 -49.33 13.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.521 -0.763 . . . . 0.28 111.469 178.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 31.8 p -65.81 -50.65 63.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.384 -0.371 . . . . 1.17 111.785 -173.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.87 -33.74 76.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.171 -0.468 . . . . 0.8 111.372 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . 0.539 ' HE2' ' HB3' ' A' 1834 ' ' ALA . 67.2 t80 -61.15 -40.83 95.3 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.935 -0.306 . . . . 0.31 110.486 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.89 -38.12 64.1 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.06 -0.59 . . . . 0.31 112.045 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -63.96 -52.61 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.516 -0.55 . . . . 3.04 109.516 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.86 -51.51 56.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.52 -0.764 . . . . 0.86 111.45 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . 0.581 ' HA ' HG11 ' A' 1920 ' ' VAL . . . -62.0 -40.55 96.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.827 -0.624 . . . . 0.49 112.046 -176.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 70.8 m -75.19 -32.84 61.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.744 0.276 . . . . 1.38 111.744 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.55 ' O ' ' HD2' ' A' 1902 ' ' PRO . 16.3 mt-30 -77.68 -24.68 49.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.666 0.269 . . . . 1.56 111.667 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . 0.456 ' HB3' HD21 ' A' 1838 ' ' LEU . . . -69.7 -28.59 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.34 111.559 -178.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.678 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 58.1 mtpt -61.61 -53.04 65.09 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.21 0.448 . . . . 2.27 112.21 -178.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.678 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 12.9 Cg_exo -70.29 -32.94 15.48 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 121.953 1.768 . . . . 0.6 112.123 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.15 79.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.404 -0.362 . . . . 0.39 111.12 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.83 92.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.025 -0.534 . . . . 0.46 111.049 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 44.3 t -75.5 -32.97 26.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.944 -0.571 . . . . 1.26 111.029 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -65.3 -31.17 72.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.64 111.362 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -65.78 153.9 40.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.85 111.139 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -69.02 -30.97 69.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 2.67 112.145 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.668 ' HB3' ' CG1' ' A' 1912 ' ' ILE . 43.6 t-20 -125.38 138.88 54.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.296 -0.411 . . . . 2.18 110.036 -173.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -51.39 -44.36 62.17 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.684 -0.689 . . . . 2.24 111.497 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.4 -38.88 88.48 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.046 0.451 . . . . 2.49 110.868 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.668 ' CG1' ' HB3' ' A' 1909 ' ' ASN . 15.8 mm -58.28 -40.22 76.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.69 -0.686 . . . . 0.89 109.539 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -77.12 -35.77 37.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.02 -0.61 . . . . 0.51 112.248 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.81 85.87 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.562 0.696 . . . . 0.46 110.352 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.671 ' O ' ' HG2' ' A' 1919 ' ' ARG . 26.0 t-80 -63.06 -38.2 90.25 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.871 -1.059 . . . . 1.62 110.377 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.529 HD11 ' HE1' ' A' 1850 ' ' PHE . 95.9 mt -65.23 -54.24 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.4 110.925 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -65.02 -34.52 78.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 1.36 111.232 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' A' 1922 ' ' GLU . 17.9 t-80 -69.97 -28.64 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 1.91 110.775 -176.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.752 ' HB3' HG22 ' A' 1964 ' ' VAL . 12.8 mmm180 -63.43 -40.55 97.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 2.55 111.166 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.581 HG11 ' HA ' ' A' 1897 ' ' ALA . 24.6 t -71.43 -28.21 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.214 -0.448 . . . . 0.35 110.46 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' 1838 ' ' LEU . 21.2 mm-40 -61.06 -40.35 93.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.206 0.527 . . . . 1.22 109.903 175.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.513 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 16.2 mm-40 -61.67 -42.61 99.15 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.307 -0.861 . . . . 1.49 109.943 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' 1923 ' ' LEU . 18.2 mt -64.43 -43.71 93.49 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.25 -0.886 . . . . 0.67 111.148 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.85 -44.46 55.49 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.182 -0.532 . . . . 0.64 112.979 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -65.79 -43.13 89.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.771 0.319 . . . . 0.69 110.64 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -71.45 -53.51 10.07 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.884 -0.674 . . . . 0.25 112.449 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 71.5 m -55.61 -43.41 76.07 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.311 0.244 . . . . 1.22 111.146 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 16.5 t -59.78 -49.81 76.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.739 0.304 . . . . 1.03 110.505 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.1 93.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.28 110.992 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.622 HD12 HG21 ' A' 1957 ' ' VAL . 0.4 OUTLIER -64.7 -53.34 48.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.021 -0.536 . . . . 0.28 110.667 -178.012 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' 1886 ' ' ALA . 29.8 m -63.85 -35.19 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.26 110.632 -178.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 96.5 m -65.14 -38.4 90.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.041 -0.527 . . . . 0.8 110.778 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.522 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.0 tptt -74.21 -37.84 63.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.12 -0.491 . . . . 1.27 110.269 -178.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . 0.469 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -58.81 -40.21 83.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.877 -0.601 . . . . 0.3 111.107 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.53 -38.92 94.32 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.725 -0.75 . . . . 0.4 111.918 177.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -76.37 -32.81 58.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.698 0.285 . . . . 0.5 111.021 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.524 HD12 HD12 ' A' 1882 ' ' LEU . 2.9 tm? -68.54 -35.95 78.14 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.591 -0.522 . . . . 0.41 109.591 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -67.52 -26.07 66.15 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.773 -0.371 . . . . 1.06 110.984 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.9 m -76.72 -18.66 58.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.309 -0.405 . . . . 1.43 110.765 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 47.3 m -150.46 69.49 8.78 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.721 -0.474 . . . . 0.8 109.721 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.28 -15.5 49.93 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.725 2.283 . . . . 0.69 112.465 -173.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 35.7 t -90.23 -10.77 43.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.585 -0.734 . . . . 1.54 110.92 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 34.2 t70 -83.89 105.53 14.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.435 0.636 . . . . 1.16 110.744 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 4.9 m -65.87 -30.09 48.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.018 -0.992 . . . . 1.33 112.257 -177.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.34 -49.44 73.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.535 0.207 . . . . 1.91 110.905 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 29.2 m -59.69 -43.14 94.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.951 0.405 . . . . 0.6 110.407 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.64 ' HG3' ' HB3' ' A' 1875 ' ' SER . 38.9 ttpt -63.8 -41.85 97.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.575 . . . . 1.2 110.702 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' 1952 ' ' GLU . 43.8 tttm -50.91 -53.09 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 2.67 110.821 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.522 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 42.8 mt-10 -63.4 -34.92 78.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.73 -0.668 . . . . 1.53 111.129 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.406 ' HG ' HD23 ' A' 1930 ' ' LEU . 10.0 tt -69.34 -40.19 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.179 -0.304 . . . . 0.31 110.179 178.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.424 HG23 HG23 ' A' 1872 ' ' VAL . 96.1 mt -55.95 -43.26 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.318 0.58 . . . . 0.35 109.721 174.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' 1956 ' ' ARG . 40.8 mt-10 -67.74 -40.31 84.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 2.11 110.755 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' 1957 ' ' VAL . 72.9 m -59.28 -41.74 89.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.725 0.297 . . . . 0.88 110.307 175.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.17 86.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.25 110.77 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.603 ' O ' ' HG3' ' A' 1959 ' ' GLU . 96.5 mtt180 -59.98 -51.91 67.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.296 -0.411 . . . . 3.21 110.129 175.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.569 ' O ' ' HG2' ' A' 1960 ' ' LYS . 94.5 mtt180 -59.63 -34.95 73.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.598 -0.728 . . . . 3.16 111.842 -174.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.892 ' HB ' HG21 ' A' 1868 ' ' VAL . 54.1 t -70.72 -50.53 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.269 -0.271 . . . . 0.3 110.269 177.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 17.7 m -57.31 -38.29 73.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 1.13 111.361 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' 1955 ' ' ARG . 51.2 mt-10 -60.67 -31.81 71.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.268 0.556 . . . . 1.86 110.766 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' 1964 ' ' VAL . 30.2 mmtp -81.52 -38.04 26.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.246 -0.434 . . . . 0.65 110.903 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.87 HG11 ' HB2' ' A' 1865 ' ' ALA . 37.3 t -54.69 -50.45 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.305 0.378 . . . . 0.27 111.562 -176.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 15.6 m -59.36 -36.74 76.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.745 0.307 . . . . 1.3 110.944 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 36.6 m80 -70.35 -32.6 70.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.497 -0.32 . . . . 1.11 111.055 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.752 HG22 ' HB3' ' A' 1919 ' ' ARG . 59.7 t -69.87 -45.88 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 0.35 110.039 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' 1861 ' ' ALA . 70.0 mt -58.22 -47.03 84.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.35 111.067 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -58.91 -37.21 76.12 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.4 111.738 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -52.45 -55.62 20.64 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.46 111.033 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.655 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -51.46 -35.99 42.18 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.482 0.919 . . . . 0.5 113.482 -171.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.88 -21.34 57.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.694 0.283 . . . . 1.7 111.753 -176.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.358 -0.383 . . . . 0.93 110.824 178.774 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 121.254 0.549 . . . . 0.74 109.797 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.96 -32.62 74.43 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.728 -0.669 . . . . 0.87 109.888 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 68.5 m -64.26 -37.26 86.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.807 -0.633 . . . . 0.97 110.693 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' 1835 ' ' ILE . 54.5 mt -70.39 -46.28 71.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.391 -0.368 . . . . 0.32 110.132 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 25.5 m -58.99 -40.42 84.77 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.185 -0.461 . . . . 0.61 110.47 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 25.7 tm0? -60.83 -47.42 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.83 -0.623 . . . . 2.49 110.003 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . . . . . . . . . . . -60.57 -32.71 71.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.69 -0.686 . . . . 0.34 111.663 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . 0.751 ' HA ' ' NE2' ' A' 1921 ' ' GLN . 61.7 mt -65.49 -43.53 94.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.958 0.409 . . . . 0.49 110.747 178.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -78.09 -43.58 28.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.33 0.493 . . . . 0.72 112.33 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -54.52 -38.01 66.04 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.114 0.783 . . . . 1.0 113.114 -170.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.605 HD12 ' CD ' ' A' 1921 ' ' GLN . 86.5 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 0.79 111.802 -172.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 85.5 t80 . . . . . 0 N--CA 1.468 0.442 0 CA-C-O 120.337 0.113 . . . . 0.68 111.042 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 9.9 p -58.0 -34.04 47.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.889 0.376 . . . . 0.79 110.909 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.07 -50.48 73.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.974 -0.557 . . . . 1.71 110.763 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -73.47 -32.71 64.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.335 -0.393 . . . . 1.07 110.693 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.611 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 56.9 tt0 -54.09 -53.26 55.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.081 -0.509 . . . . 0.99 111.226 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 11.5 t -68.34 -30.88 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.86 0.362 . . . . 1.46 110.964 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 17.8 m -69.88 -41.79 74.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.061 0.458 . . . . 0.42 110.716 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 73.3 mtp -68.59 -47.13 67.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.71 111.489 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.649 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -59.69 -36.99 68.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.468 -0.493 . . . . 0.29 110.968 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' 1859 ' ' ARG . 48.1 mtm105 -65.35 -45.99 81.95 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.713 0.292 . . . . 3.02 110.767 178.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.663 ' HB ' HD23 ' A' 1896 ' ' LEU . 10.0 m -69.83 -33.63 72.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.35 110.947 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.561 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.92 -45.79 90.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.25 110.415 176.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.649 ' HG3' ' O ' ' A' 1858 ' ' VAL . 58.0 mttm -61.37 -32.99 72.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 1.31 110.46 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.16 -36.47 84.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.41 111.398 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.697 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -79.76 -27.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.469 -0.493 . . . . 0.28 109.928 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.83 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.11 -40.78 74.71 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 116.115 -0.493 . . . . 0.2 111.286 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.427 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.9 p -67.73 -28.5 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.989 0.423 . . . . 0.73 110.009 176.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.603 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.9 m -69.79 -52.42 25.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.25 110.807 175.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.662 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.5 p -63.72 -36.45 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.609 0.243 . . . . 0.28 110.951 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -67.96 -26.21 65.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.144 0.497 . . . . 0.91 109.877 177.236 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' 1869 ' ' GLN . 8.1 tp10 -76.98 -38.48 53.09 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.564 -0.532 . . . . 0.57 109.564 176.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' 1867 ' ' THR . 82.1 mtp -62.16 -43.04 99.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 1.25 110.95 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 13.9 p -63.24 -39.08 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.59 110.455 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 26.1 m -71.37 -48.97 46.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.743 -0.662 . . . . 0.44 110.999 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.853 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 7.4 mmpt? -65.75 -29.08 69.54 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.233 -0.439 . . . . 1.4 111.699 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 27.8 t -61.54 -24.65 66.77 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.637 -0.425 . . . . 1.11 110.78 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -78.24 -38.95 41.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.76 111.429 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 17.1 p -108.19 -40.11 5.28 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.107 0.78 . . . . 1.32 113.107 -172.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 64.4 m -138.84 85.57 16.38 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.373 -0.376 . . . . 1.17 111.291 -170.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.87 -20.82 72.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.44 2.093 . . . . 0.67 112.064 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.84 -20.29 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 2.24 111.229 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' 1885 ' ' LEU . 16.4 mm-40 -80.87 -15.5 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.561 -0.29 . . . . 1.89 111.4 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.652 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 85.7 mt -65.31 -38.11 89.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.456 -0.338 . . . . 0.34 111.747 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.69 -54.72 31.69 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.855 -0.688 . . . . 0.38 113.018 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.08 -40.13 87.42 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.703 2.269 . . . . 0.58 112.836 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.8 mt -72.64 -40.23 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.698 -0.228 . . . . 0.37 110.913 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.79 70.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.215 0.531 . . . . 0.36 110.177 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -69.72 -40.06 76.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 1.43 110.616 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -71.04 -41.76 70.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.612 -0.722 . . . . 1.07 110.795 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.401 HD12 ' HB ' ' A' 1864 ' ' ILE . 52.6 tp -58.63 -39.42 80.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.25 109.732 175.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 51.6 m -65.75 -50.01 66.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.365 -0.834 . . . . 0.28 111.609 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 76.2 p -66.45 -49.6 66.16 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.82 0.343 . . . . 1.17 110.944 -173.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.562 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.1 m-20 -60.02 -37.91 81.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.825 -0.625 . . . . 0.8 111.351 177.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . 0.438 ' CE2' HG23 ' A' 1831 ' ' ILE . 74.8 t80 -61.62 -47.57 84.85 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.033 -0.267 . . . . 0.31 110.697 177.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.46 -38.76 81.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.859 -0.686 . . . . 0.31 111.898 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' 1899 ' ' GLN . 76.9 mtp180 -66.83 -50.15 63.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.02 0.438 . . . . 3.04 110.409 177.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.663 HD23 ' HB ' ' A' 1860 ' ' THR . 1.7 tm? -60.77 -38.61 85.85 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.558 -0.746 . . . . 0.86 110.707 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . 0.402 ' O ' HD21 ' A' 1838 ' ' LEU . . . -66.4 -32.7 74.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.49 111.286 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 51.9 m -67.52 -34.87 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 1.38 110.792 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' 1895 ' ' ARG . 66.8 mt-30 -72.83 -24.84 60.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 1.56 111.092 -175.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.51 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 0.34 112.031 -176.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.47 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 55.5 mtmt -66.51 -59.11 8.75 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.622 -0.263 . . . . 2.27 111.707 -177.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.47 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 35.5 Cg_endo -66.37 -29.58 45.66 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.657 1.571 . . . . 0.6 112.204 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.73 -45.94 87.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.88 0.371 . . . . 0.39 110.574 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.87 -38.45 82.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.701 -0.681 . . . . 0.46 111.476 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 43.8 t -75.73 -36.42 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.941 -0.572 . . . . 1.26 111.137 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -72.3 -17.43 61.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.64 112.019 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.83 166.63 15.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 0.85 110.976 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -39.06 13.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.462 -0.336 . . . . 2.67 111.269 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.456 ' HB3' HG12 ' A' 1912 ' ' ILE . 10.9 t30 -110.12 132.84 53.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.149 -0.315 . . . . 2.18 110.149 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.93 -41.52 87.52 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.275 -0.421 . . . . 2.24 112.018 -174.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.403 ' HB2' ' ND2' ' A' 1909 ' ' ASN . 7.6 mp0 -62.41 -22.47 66.2 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.634 0.254 . . . . 2.49 111.158 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' 1909 ' ' ASN . 37.9 mm -73.65 -47.79 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.451 -0.574 . . . . 0.89 109.451 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -63.4 -39.96 98.34 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.782 -0.723 . . . . 0.51 111.646 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.5 87.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.037 0.446 . . . . 0.46 110.357 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.8 t-160 -64.44 -43.23 94.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.874 -0.603 . . . . 1.62 110.175 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 83.7 mt -57.91 -55.08 23.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.4 111.169 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' 1921 ' ' GLN . 20.0 ptpt -65.36 -39.4 92.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 1.36 111.405 -175.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 62.4 m170 -71.82 -29.49 64.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.887 0.329 . . . . 1.91 111.887 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.611 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 2.4 mmp_? -70.09 -31.62 69.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.715 -0.394 . . . . 2.55 110.601 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 80.8 t -64.75 -32.92 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.241 0.543 . . . . 0.35 110.345 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.751 ' NE2' ' HA ' ' A' 1835 ' ' ILE . 4.5 mm100 -70.57 -22.28 62.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.744 -0.662 . . . . 1.22 111.19 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.665 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 17.5 mm-40 -55.63 -37.72 68.56 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.135 -0.691 . . . . 1.49 109.135 169.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.707 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.9 mt -77.98 -34.96 50.64 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.839 -0.619 . . . . 0.67 109.531 174.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . 0.407 ' O ' HD11 ' A' 1835 ' ' ILE . . . -51.24 -34.47 32.85 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.498 -0.858 . . . . 0.64 112.078 174.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -85.18 -55.2 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.678 -0.307 . . . . 0.69 110.521 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -65.07 -49.62 61.41 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.26 -0.495 . . . . 0.25 113.698 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.707 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 89.5 m -64.49 -39.31 93.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.855 0.327 . . . . 1.22 110.806 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . 0.49 ' HB2' HG21 ' A' 1831 ' ' ILE . 7.8 t -60.7 -43.63 97.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.22 0.533 . . . . 1.03 109.79 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.61 -43.25 80.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.509 -0.768 . . . . 0.28 110.743 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.557 HD11 HG23 ' A' 1868 ' ' VAL . 0.3 OUTLIER -58.58 -52.95 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.28 110.857 -178.523 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 18.4 m -64.38 -33.87 65.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 0.26 110.936 -177.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.3 m -68.99 -44.43 72.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.04 -0.527 . . . . 0.8 110.254 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.621 ' HE3' HG23 ' A' 1946 ' ' THR . 41.1 tptt -65.59 -39.84 92.04 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.816 -0.629 . . . . 1.27 110.654 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . 0.652 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -60.9 -43.41 98.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.3 110.987 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -61.35 -43.28 99.56 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.625 -0.798 . . . . 0.4 111.82 177.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.52 63.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.361 . . . . 0.5 111.013 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.611 HD12 HD12 ' A' 1882 ' ' LEU . 3.2 tm? -74.19 -40.57 62.41 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 109.715 -0.476 . . . . 0.41 109.715 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.416 ' O ' ' HD3' ' A' 1941 ' ' PRO . 22.3 mt-30 -65.02 -25.87 68.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.823 0.344 . . . . 1.06 111.147 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.7 m -70.11 -27.97 65.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.17 -0.468 . . . . 1.43 110.539 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 67.7 m -144.53 69.62 15.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.604 -0.517 . . . . 0.8 109.604 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' 1938 ' ' GLN . 49.6 Cg_endo -68.38 -4.08 12.18 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.939 2.426 . . . . 0.69 112.675 -173.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 42.6 t -93.38 -13.37 28.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.885 -0.598 . . . . 1.54 110.399 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.81 115.2 21.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.128 0.49 . . . . 1.16 110.574 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 45.0 t -75.79 -29.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.837 -0.619 . . . . 1.33 110.87 -176.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.527 ' O ' ' HG3' ' A' 1949 ' ' GLU . 38.3 t80 -60.63 -52.77 63.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 1.91 110.28 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.621 HG23 ' HE3' ' A' 1933 ' ' LYS . 32.8 m -60.27 -40.29 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.6 110.849 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -62.72 -46.26 88.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 1.2 110.677 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -58.1 -44.23 87.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 2.67 110.409 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' 1945 ' ' TYR . 44.0 mt-10 -59.73 -37.85 80.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.716 -0.674 . . . . 1.53 111.153 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.58 -40.66 69.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.625 -0.262 . . . . 0.31 110.942 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . . . . . . . . . 80.5 mt -55.41 -45.12 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.35 111.055 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' 1956 ' ' ARG . 8.6 pt-20 -72.88 -36.1 67.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.637 -0.256 . . . . 2.11 110.916 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.51 ' O ' HG23 ' A' 1957 ' ' VAL . 87.4 m -60.25 -42.76 95.98 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.619 0.247 . . . . 0.88 110.51 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.94 95.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.25 110.966 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' 1959 ' ' GLU . 78.1 mtt180 -60.39 -46.13 91.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 3.21 110.425 176.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' 1952 ' ' GLU . 50.7 mtp180 -59.77 -44.56 93.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.694 -0.685 . . . . 3.16 111.37 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.662 ' HB ' HG21 ' A' 1868 ' ' VAL . 85.7 t -62.38 -44.05 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.3 110.766 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 37.9 m -57.4 -35.78 70.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 1.13 111.212 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.8 mt-10 -70.5 -31.26 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.312 0.577 . . . . 1.86 110.683 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.665 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.2 mmtt -71.33 -37.66 71.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.01 -0.541 . . . . 0.65 110.676 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.83 HG11 ' HB2' ' A' 1865 ' ' ALA . 21.7 t -55.99 -42.23 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 O-C-N 123.411 0.445 . . . . 0.27 110.854 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 12.1 m -57.95 -37.61 74.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 1.3 110.965 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.402 ' HB3' ' HD3' ' A' 1919 ' ' ARG . 76.1 m80 -77.25 -30.71 54.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.563 . . . . 1.11 110.782 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' 1960 ' ' LYS . 60.9 t -66.24 -49.02 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.115 0.483 . . . . 0.35 109.794 175.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 61.3 mt -57.68 -48.82 78.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.457 -0.792 . . . . 0.35 110.765 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.2 68.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.876 -0.602 . . . . 0.4 111.704 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . 0.549 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -62.54 -30.82 71.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.474 -0.33 . . . . 0.46 111.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.611 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -70.4 -51.14 31.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.5 110.749 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -72.04 -16.85 62.05 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.968 -0.293 . . . . 1.7 110.836 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.091 -0.504 . . . . 0.93 110.719 177.315 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.281 0.562 . . . . 0.74 110.099 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.31 -44.56 96.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.568 -0.742 . . . . 0.87 110.376 175.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 16.0 t -61.57 -45.61 93.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.953 -0.567 . . . . 0.97 110.337 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.414 ' O ' HG13 ' A' 1835 ' ' ILE . 59.6 mt -59.78 -44.01 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.861 -0.609 . . . . 0.32 110.492 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . 0.429 ' O ' ' HB ' ' A' 1835 ' ' ILE . 29.2 m -67.34 -41.99 84.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.93 -0.577 . . . . 0.61 111.109 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -62.67 -38.44 90.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.229 0.537 . . . . 2.49 110.478 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -63.19 -27.91 69.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.34 111.16 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . 0.49 ' HA ' HE22 ' A' 1921 ' ' GLN . 75.4 mt -64.2 -43.13 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.498 . . . . 0.49 110.381 175.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . 0.449 HD22 ' N ' ' A' 1836 ' ' ASN . 0.9 OUTLIER -64.92 -41.95 95.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.629 -0.714 . . . . 0.72 111.754 -173.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' 1834 ' ' ALA . 29.2 pt20 -66.22 -34.88 79.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.873 -173.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.594 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 97.3 mt . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.342 . . . . 0.79 111.569 -173.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.501 ' HE1' HD11 ' A' 1916 ' ' ILE . 87.8 t80 . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.554 0.216 . . . . 0.68 111.088 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.0 p -56.29 -38.45 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.261 -0.427 . . . . 0.79 111.675 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.18 -50.5 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.684 0.278 . . . . 1.71 110.485 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.49 -36.89 83.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.244 -0.434 . . . . 1.07 110.296 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.697 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 33.4 tt0 -57.74 -53.61 56.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.887 -0.597 . . . . 0.99 110.444 175.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 32.6 m -62.08 -31.3 71.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.746 -0.661 . . . . 1.46 111.343 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . 0.403 ' HA ' HH21 ' A' 1859 ' ' ARG . 20.2 m -78.19 -44.31 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.961 -0.296 . . . . 0.42 111.006 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 71.9 mtp -63.98 -44.29 93.15 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.16 0.43 . . . . 0.71 112.16 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.8 m -60.73 -36.03 68.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.716 -0.394 . . . . 0.29 110.954 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.403 HH21 ' HA ' ' A' 1856 ' ' THR . 61.7 mtm180 -67.0 -41.2 87.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.753 0.311 . . . . 3.02 110.828 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.523 ' HB ' HD21 ' A' 1896 ' ' LEU . 4.0 m -72.87 -36.56 67.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.289 -0.414 . . . . 0.35 110.981 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.544 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.48 -50.38 69.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 0.25 110.795 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' 1858 ' ' VAL . 54.0 mtmt -61.89 -24.68 67.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.054 0.454 . . . . 1.31 110.903 175.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' 1866 ' ' VAL . . . -72.69 -37.98 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.41 111.29 177.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.644 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -79.43 -24.27 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.597 -0.441 . . . . 0.28 110.26 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.863 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -69.01 -32.65 72.35 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.035 -0.53 . . . . 0.2 111.659 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.443 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.8 p -74.55 -26.9 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.482 -0.487 . . . . 0.73 109.938 176.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.605 ' O ' ' HG3' ' A' 1871 ' ' MET . 46.6 m -68.8 -53.39 21.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.25 110.612 176.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.867 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.3 p -61.08 -40.51 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.674 0.273 . . . . 0.28 111.286 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.443 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.04 -25.96 67.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.213 0.53 . . . . 0.91 110.109 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' 1869 ' ' GLN . 9.2 tp10 -77.55 -40.51 42.24 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.105 -0.498 . . . . 0.57 109.974 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.605 ' HG3' ' O ' ' A' 1867 ' ' THR . 84.9 mtp -60.81 -38.33 85.05 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.352 -0.385 . . . . 1.25 111.738 -174.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.457 HG23 HG23 ' A' 1951 ' ' ILE . 7.7 p -63.3 -38.32 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.394 0.616 . . . . 0.59 110.843 178.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 54.7 m -78.96 -37.48 39.44 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.483 -0.781 . . . . 0.44 110.912 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.866 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 9.0 mmpt? -70.81 -38.03 73.27 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 116.073 -0.512 . . . . 1.4 112.205 -176.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 10.1 p -61.4 -26.94 68.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.174 0.511 . . . . 1.11 110.713 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . 0.436 HD21 HD11 ' A' 1951 ' ' ILE . 28.0 m-80 -81.48 -25.78 35.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.594 -0.73 . . . . 0.76 111.779 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 4.5 p -108.61 -50.41 3.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.215 0.45 . . . . 1.32 112.215 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . 0.402 ' HA ' ' HD2' ' A' 1879 ' ' PRO . 4.7 t -141.86 91.87 8.04 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.228 -0.656 . . . . 1.17 109.228 -173.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' 1878 ' ' SER . 23.9 Cg_endo -60.94 -26.05 82.5 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.829 2.352 . . . . 0.67 113.176 -175.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' 1880 ' ' GLU . 1.0 OUTLIER -80.57 -8.52 59.62 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.78 -0.368 . . . . 2.24 111.199 -178.64 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' 1885 ' ' LEU . 28.6 mt-10 -80.83 -9.69 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 1.89 110.557 174.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.468 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 96.5 mt -69.43 -34.54 74.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.34 111.418 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . 0.43 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -59.0 -55.61 29.92 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 121.019 -0.61 . . . . 0.38 113.484 -178.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' 1883 ' ' GLY . 11.1 Cg_endo -57.68 -32.23 94.06 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.444 2.096 . . . . 0.58 112.574 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.663 HD11 ' HG3' ' A' 1874 ' ' LYS . 80.2 mt -76.04 -44.55 38.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.415 -0.357 . . . . 0.37 110.788 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . 0.511 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -56.48 -34.18 66.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.273 0.559 . . . . 0.36 109.795 174.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -70.37 -45.25 66.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.476 -0.784 . . . . 1.43 110.864 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -71.83 -36.29 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 1.07 110.759 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.53 -32.97 74.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.575 -0.528 . . . . 0.25 109.575 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 39.3 m -71.85 -51.28 23.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.533 -0.758 . . . . 0.28 111.352 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 20.2 p -63.96 -51.29 65.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 1.17 111.659 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.491 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.1 m-20 -64.42 -31.21 72.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.822 -0.626 . . . . 0.8 111.744 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . 0.444 ' HE2' ' HB3' ' A' 1834 ' ' ALA . 72.0 t80 -62.94 -41.43 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.825 -0.35 . . . . 0.31 110.305 175.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.04 63.69 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.014 -0.612 . . . . 0.31 112.082 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.88 -53.02 36.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.669 -0.493 . . . . 3.04 109.669 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.523 HD21 ' HB ' ' A' 1860 ' ' THR . 19.4 mt -60.39 -41.19 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.86 111.444 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -61.39 -27.58 68.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 0.49 111.302 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 37.7 m -84.74 -40.22 17.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.355 -0.384 . . . . 1.38 110.499 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.515 ' O ' ' HD2' ' A' 1902 ' ' PRO . 23.5 mt-30 -73.71 -27.38 61.17 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.849 -0.614 . . . . 1.56 112.134 -175.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.52 -25.63 68.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.861 0.363 . . . . 0.34 111.634 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.657 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 59.6 mtmt -70.03 -55.03 8.91 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.336 -0.393 . . . . 2.27 111.844 -178.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.657 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 24.0 Cg_exo -64.05 -29.91 66.0 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.967 1.778 . . . . 0.6 112.042 175.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.83 96.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.39 110.65 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.65 98.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.601 . . . . 0.46 111.472 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 9.4 p -75.69 -26.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.868 0.365 . . . . 1.26 111.145 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -77.5 -18.23 57.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.64 110.98 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.5 143.89 51.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.025 -0.534 . . . . 0.85 110.181 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.52 -3.75 58.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.859 0.361 . . . . 2.67 111.228 -176.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.451 ' HB3' HG12 ' A' 1912 ' ' ILE . 7.2 t30 -135.78 131.62 35.72 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.922 -0.399 . . . . 2.18 109.922 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.99 -45.54 94.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.34 -0.391 . . . . 2.24 111.379 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' 1915 ' ' HIS . 2.5 mp0 -58.69 -21.18 53.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.539 -0.301 . . . . 2.49 111.237 -178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.451 HG12 ' HB3' ' A' 1909 ' ' ASN . 43.1 mm -77.11 -48.58 24.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.763 -0.458 . . . . 0.89 109.763 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.56 -41.01 99.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.778 -0.725 . . . . 0.51 111.467 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.84 91.04 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.331 0.586 . . . . 0.46 110.457 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.584 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.4 t-160 -63.97 -46.48 84.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.424 -0.807 . . . . 1.62 110.279 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.501 HD11 ' HE1' ' A' 1850 ' ' PHE . 89.0 mt -58.55 -54.62 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.4 111.119 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.675 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.8 ptpt -61.14 -37.98 84.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 1.36 110.751 -177.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . 0.592 ' HD2' ' HG3' ' A' 1917 ' ' LYS . 4.4 m-70 -75.46 -25.05 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.268 0.469 . . . . 1.91 112.268 -177.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.673 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 0.5 OUTLIER -74.75 -31.12 61.71 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.278 -0.569 . . . . 2.55 110.48 175.155 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 32.4 t -73.14 -23.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.62 -0.511 . . . . 0.35 109.62 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.675 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.1 mm-40 -64.21 -36.89 85.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.344 0.592 . . . . 1.22 109.526 172.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' 1919 ' ' ARG . 7.7 mm-40 -59.1 -49.08 79.23 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.187 -0.915 . . . . 1.49 109.592 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.03 -41.58 96.84 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.206 -0.906 . . . . 0.67 110.537 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -52.54 -53.15 33.63 Favored Glycine 0 C--O 1.223 -0.574 0 C-N-CA 121.184 -0.531 . . . . 0.64 112.703 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -75.11 -37.17 61.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.129 0.464 . . . . 0.69 111.027 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.06 -54.13 19.06 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.933 -0.651 . . . . 0.25 112.438 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.454 ' O ' HG22 ' A' 1931 ' ' VAL . 72.0 m -61.36 -40.4 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.375 -0.231 . . . . 1.22 110.375 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 9.5 m -53.91 -52.01 61.92 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.872 0.368 . . . . 1.03 110.934 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.98 -44.22 97.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.905 -0.589 . . . . 0.28 111.043 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.538 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.46 -53.1 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.28 111.044 -177.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' 1886 ' ' ALA . 33.3 m -66.05 -31.25 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.851 0.358 . . . . 0.26 111.0 -177.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 98.8 m -70.0 -44.01 70.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.158 0.504 . . . . 0.8 110.442 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.473 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 40.4 tptt -65.03 -40.68 95.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.776 -0.647 . . . . 1.27 110.194 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -59.7 -41.07 89.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 0.3 111.346 176.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.81 98.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.866 -0.683 . . . . 0.4 111.934 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.15 -33.69 63.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.644 0.259 . . . . 0.5 110.917 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.08 -40.29 86.97 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.768 -0.456 . . . . 0.41 109.768 -178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.09 -25.67 68.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.758 0.313 . . . . 1.06 111.334 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 79.4 m -77.19 -15.15 59.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.356 . . . . 1.43 111.163 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 56.3 m -153.89 66.66 5.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.335 -0.617 . . . . 0.8 109.335 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.04 -14.98 48.25 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.195 2.597 . . . . 0.69 113.191 -170.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 49.0 m -87.84 -13.79 41.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.02 -0.536 . . . . 1.54 112.028 -174.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.92 117.99 20.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.123 0.487 . . . . 1.16 110.421 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 26.0 t -71.95 -34.52 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.692 -0.685 . . . . 1.33 111.32 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.402 ' O ' ' HG3' ' A' 1949 ' ' GLU . 65.4 t80 -63.27 -49.94 72.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.518 -0.31 . . . . 1.91 110.99 -177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 20.2 m -59.89 -41.86 92.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.065 0.46 . . . . 0.6 110.609 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.416 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 36.7 ttpt -65.68 -42.9 90.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.697 -0.683 . . . . 1.2 110.539 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' 1952 ' ' GLU . 4.0 ttmp? -58.59 -41.16 85.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 2.67 110.792 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.473 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 29.4 mt-10 -67.89 -34.48 76.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.42 -0.354 . . . . 1.53 111.158 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -65.9 -37.87 87.24 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.726 -0.472 . . . . 0.31 109.726 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.504 ' O ' ' HG2' ' A' 1955 ' ' ARG . 86.2 mt -55.45 -45.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.996 -0.547 . . . . 0.35 109.891 174.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' 1948 ' ' LYS . 35.9 mt-10 -65.05 -40.63 95.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 2.11 110.622 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 73.1 m -59.98 -41.14 91.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.906 0.384 . . . . 0.88 110.534 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.33 92.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.944 -0.571 . . . . 0.25 111.116 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' 1951 ' ' ILE . 28.7 mmt180 -59.31 -44.35 92.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.015 0.436 . . . . 3.21 109.929 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' 1960 ' ' LYS . 2.5 mmp_? -56.84 -50.88 71.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.418 -0.81 . . . . 3.16 110.785 -178.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.867 ' HB ' HG21 ' A' 1868 ' ' VAL . 39.8 t -61.32 -47.47 93.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.851 -0.613 . . . . 0.3 110.705 -178.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 34.4 t -56.18 -41.8 76.08 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.306 -0.406 . . . . 1.13 110.726 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' 1955 ' ' ARG . 44.5 mt-10 -62.56 -41.91 99.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.216 0.532 . . . . 1.86 110.877 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.584 ' O ' HG23 ' A' 1964 ' ' VAL . 29.9 mmtp -73.86 -32.42 63.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 0.65 111.746 -173.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.863 HG11 ' HB2' ' A' 1865 ' ' ALA . 59.0 t -56.35 -46.88 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.9 0.381 . . . . 0.27 110.523 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . 0.409 ' HA ' HD12 ' A' 1965 ' ' LEU . 15.6 m -62.64 -31.6 72.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.064 -0.516 . . . . 1.3 110.727 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 38.9 m170 -72.02 -37.13 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 1.11 110.168 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.615 HG22 ' HB3' ' A' 1919 ' ' ARG . 48.6 t -66.52 -46.62 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.35 110.0 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' 1962 ' ' SER . 69.1 mt -55.99 -46.51 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.35 110.665 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.84 73.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.4 111.329 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.3 -28.61 69.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.46 110.864 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.697 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -71.93 -50.93 24.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.5 111.444 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -68.61 -26.4 65.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.589 -0.444 . . . . 1.7 110.57 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.93 110.988 -179.873 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 120.95 0.405 . . . . 0.74 110.555 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.98 -34.54 65.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.869 -0.605 . . . . 0.87 111.063 175.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 41.1 m -65.71 -23.88 66.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.917 -0.583 . . . . 0.97 111.688 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.475 HG13 HG23 ' A' 1890 ' ' THR . 67.4 mt -72.55 -51.32 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.059 0.457 . . . . 0.32 109.952 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 7.0 m -66.01 -37.69 86.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.843 -0.617 . . . . 0.61 110.692 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -61.34 -39.21 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.331 -0.395 . . . . 2.49 110.581 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.531 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -60.69 -35.31 75.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 0.34 111.001 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . 0.69 ' HA ' HE22 ' A' 1921 ' ' GLN . 50.6 mt -63.61 -46.13 95.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.277 -0.42 . . . . 0.49 110.018 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -65.66 -46.84 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.654 -0.703 . . . . 0.72 111.755 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . 0.531 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 13.6 pt20 -63.33 -38.53 91.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.782 0.325 . . . . 1.0 111.361 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.518 HD23 ' HG2' ' A' 1901 ' ' LYS . 30.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.522 -0.308 . . . . 0.79 110.666 177.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.534 ' HE1' HD11 ' A' 1916 ' ' ILE . 66.9 t80 . . . . . 0 C--O 1.225 -0.186 0 CA-C-O 120.507 0.194 . . . . 0.68 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -56.15 -37.04 47.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.257 -0.428 . . . . 0.79 111.909 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.88 -48.49 30.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 1.71 110.365 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -63.14 -34.36 77.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 1.07 110.559 177.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.688 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 30.9 tt0 -56.68 -57.1 13.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 0.99 110.251 174.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.417 ' HA ' HG22 ' A' 1858 ' ' VAL . 12.0 m -61.8 -35.31 77.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.659 -0.701 . . . . 1.46 110.751 -178.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 27.8 m -65.78 -44.5 85.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.081 0.467 . . . . 0.42 110.596 177.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . 0.493 ' SD ' ' HB2' ' A' 1899 ' ' GLN . 67.7 mmm -68.01 -45.38 74.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.71 111.773 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.672 ' O ' ' HG3' ' A' 1862 ' ' LYS . 25.8 m -63.66 -34.39 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.699 -0.4 . . . . 0.29 111.538 -175.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -65.4 -38.65 90.59 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.939 0.399 . . . . 3.02 110.79 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.621 ' HB ' HD21 ' A' 1896 ' ' LEU . 20.4 m -75.72 -36.03 60.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.545 . . . . 0.35 110.448 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.494 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.83 -45.68 91.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 0.25 111.199 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' 1858 ' ' VAL . 86.5 mttt -59.45 -35.8 74.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 1.31 110.318 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.97 83.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.545 -0.752 . . . . 0.41 111.458 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.703 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -74.92 -25.88 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.201 -0.599 . . . . 0.28 109.879 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.82 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -71.17 -39.04 72.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.099 -0.501 . . . . 0.2 111.311 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' 1869 ' ' GLN . 14.9 p -73.28 -23.62 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.233 0.54 . . . . 0.73 109.873 175.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.584 ' O ' ' HG3' ' A' 1871 ' ' MET . 75.1 m -69.65 -52.58 24.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 0.25 110.362 174.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.832 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.1 p -61.28 -38.75 80.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 121.182 -0.207 . . . . 0.28 110.971 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.27 -29.04 69.19 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.568 -0.453 . . . . 0.91 109.922 178.715 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -75.59 -33.15 60.55 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 109.573 -0.529 . . . . 0.57 109.573 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.584 ' HG3' ' O ' ' A' 1867 ' ' THR . 80.3 mtp -66.11 -45.11 82.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.402 -0.363 . . . . 1.25 110.798 -178.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.445 ' HB ' ' CB ' ' A' 1954 ' ' ALA . 3.1 p -63.23 -42.14 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.554 0.693 . . . . 0.59 110.489 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.6 m -65.24 -46.81 79.08 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.982 -1.008 . . . . 0.44 111.303 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.671 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 8.1 mmpt? -74.74 -28.98 61.0 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 116.321 -0.4 . . . . 1.4 111.77 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.499 ' HA ' HD11 ' A' 1882 ' ' LEU . 26.7 t -59.76 -28.12 67.12 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.852 -0.53 . . . . 1.11 110.658 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -81.93 -33.31 30.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.831 -0.622 . . . . 0.76 111.755 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 10.9 p -108.36 -36.49 6.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.057 0.762 . . . . 1.32 113.057 -170.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . 0.423 ' HB3' ' HG3' ' A' 1881 ' ' GLU . 73.2 m -148.48 88.7 5.27 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.264 -0.425 . . . . 1.17 110.743 -170.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' 1941 ' ' PRO . 10.4 Cg_exo -69.73 -22.57 32.04 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.709 2.273 . . . . 0.67 112.624 -176.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.99 -21.04 51.47 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.474 -0.49 . . . . 2.24 110.21 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' 1885 ' ' LEU . 33.7 mt-10 -79.22 -10.02 59.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 1.89 110.507 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' 1875 ' ' SER . 94.8 mt -68.52 -25.81 65.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.09 -0.505 . . . . 0.34 111.055 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . 0.417 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.4 -56.03 24.13 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.925 -0.655 . . . . 0.38 113.67 -176.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' 1883 ' ' GLY . 17.8 Cg_endo -62.18 -30.81 82.47 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.239 1.959 . . . . 0.58 112.243 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.9 mt -71.14 -38.56 72.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.551 -0.295 . . . . 0.37 110.447 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . 0.59 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -58.89 -35.07 72.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.444 0.64 . . . . 0.36 109.696 175.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 11.1 m120 -74.55 -45.83 42.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.159 -0.928 . . . . 1.43 111.6 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -67.84 -40.31 83.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.863 0.32 . . . . 1.07 111.863 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.93 -32.99 74.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.146 0.498 . . . . 0.25 109.914 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . 0.475 HG23 HG13 ' A' 1831 ' ' ILE . 53.4 m -70.02 -47.49 61.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.469 -0.787 . . . . 0.28 111.59 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 49.4 p -70.28 -47.07 62.85 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.197 0.522 . . . . 1.17 111.571 -172.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.57 -25.76 65.06 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.637 -0.711 . . . . 0.8 111.853 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -62.93 -43.71 98.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.31 110.374 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.31 -25.26 60.07 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.22 -0.514 . . . . 0.31 112.52 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' 1899 ' ' GLN . 58.8 mtp180 -68.94 -48.77 62.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.645 -0.502 . . . . 3.04 109.645 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.621 HD21 ' HB ' ' A' 1860 ' ' THR . 49.4 mt -59.59 -42.83 93.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.86 110.465 176.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . 0.471 ' HA ' HG11 ' A' 1920 ' ' VAL . . . -62.01 -34.63 76.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.514 . . . . 0.49 111.436 -179.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.6 t -75.43 -46.09 34.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.377 -0.374 . . . . 1.38 110.445 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.493 ' HB2' ' SD ' ' A' 1857 ' ' MET . 13.9 mt-30 -71.54 -25.73 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 1.56 111.561 -175.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.24 -27.57 69.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.34 111.994 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.781 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 30.6 mtmm -66.41 -57.16 13.17 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.64 -0.255 . . . . 2.27 111.275 -176.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.781 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 17.3 Cg_exo -67.78 -29.99 34.58 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.977 1.784 . . . . 0.6 111.893 176.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.36 93.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.289 -0.414 . . . . 0.39 110.686 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -64.39 -35.91 82.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 0.46 111.194 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 41.8 t -75.16 -41.01 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 1.26 110.711 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -79.41 -8.0 58.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.048 -0.523 . . . . 0.64 111.277 -178.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -63.21 138.91 58.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.85 111.216 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.09 -47.09 75.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.821 -0.627 . . . . 2.67 110.878 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.698 ' HB2' HG12 ' A' 1912 ' ' ILE . 5.2 m-20 -98.23 146.33 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.129 -0.487 . . . . 2.18 111.156 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.13 -47.19 83.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 2.24 110.287 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.66 -41.78 91.35 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.333 -0.394 . . . . 2.49 110.676 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.698 HG12 ' HB2' ' A' 1909 ' ' ASN . 29.7 mm -58.22 -51.09 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.054 -0.521 . . . . 0.89 110.874 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.0 -42.1 99.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.558 -0.83 . . . . 0.51 112.103 178.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.92 92.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.135 0.493 . . . . 0.46 110.581 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.636 ' O ' ' HG2' ' A' 1919 ' ' ARG . 30.0 m-70 -66.98 -39.6 87.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.707 -0.678 . . . . 1.62 111.326 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' 1912 ' ' ILE . 92.2 mt -53.47 -51.98 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.996 0.427 . . . . 0.4 110.162 176.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.551 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.5 mtpp -55.96 -49.35 73.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.383 -0.826 . . . . 1.36 110.681 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -65.31 -34.09 77.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.958 -1.019 . . . . 1.91 112.526 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.725 ' HA ' ' HG3' ' A' 1922 ' ' GLU . 38.5 mmt180 -69.03 -36.17 77.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.004 0.431 . . . . 2.55 110.693 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.471 HG11 ' HA ' ' A' 1897 ' ' ALA . 40.3 t -70.9 -27.8 31.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.768 -0.456 . . . . 0.35 109.768 176.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.69 HE22 ' HA ' ' A' 1835 ' ' ILE . 22.4 mm-40 -64.7 -36.1 83.19 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.213 -0.449 . . . . 1.22 109.87 174.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.725 ' HG3' ' HA ' ' A' 1919 ' ' ARG . 4.2 mt-10 -62.81 -49.29 75.54 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.273 -0.64 . . . . 1.49 109.273 176.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.402 HD11 HG21 ' A' 1964 ' ' VAL . 41.6 mt -59.8 -29.29 68.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.338 -0.847 . . . . 0.67 110.711 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . 0.436 ' O ' HD11 ' A' 1835 ' ' ILE . . . -64.35 -23.0 67.98 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.731 -0.668 . . . . 0.64 112.664 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -108.36 -19.07 13.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.961 0.41 . . . . 0.69 110.325 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . 0.574 ' HA2' ' HD3' ' A' 1956 ' ' ARG . . . -76.9 -58.98 3.3 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.005 -0.617 . . . . 0.25 112.001 175.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 61.9 m -61.3 -40.5 94.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 1.22 110.846 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 3.3 p -57.23 -52.24 66.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 1.03 111.09 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.42 91.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.28 111.072 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.55 HD11 HG23 ' A' 1868 ' ' VAL . 0.3 OUTLIER -63.35 -53.5 51.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.28 110.594 -178.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' 1886 ' ' ALA . 31.7 m -66.67 -30.61 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.402 -0.363 . . . . 0.26 110.969 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 92.1 m -67.93 -45.25 74.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.8 110.19 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.497 ' HE2' ' CB ' ' A' 1949 ' ' GLU . 29.6 tptt -66.48 -37.28 84.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.89 -0.596 . . . . 1.27 110.568 -177.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.14 81.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.221 -0.445 . . . . 0.3 111.095 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -62.85 -38.23 96.2 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.592 -0.814 . . . . 0.4 111.732 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.16 -34.85 61.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.793 0.33 . . . . 0.5 111.024 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' 1937 ' ' LEU . 3.0 tm? -67.96 -33.96 75.66 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.742 -0.466 . . . . 0.41 109.742 -178.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -68.6 -25.68 64.99 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.998 0.428 . . . . 1.06 110.978 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 67.8 m -77.57 -13.04 60.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.983 -0.553 . . . . 1.43 110.642 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 49.4 m -151.46 64.66 6.13 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.311 -0.626 . . . . 0.8 109.311 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.4 ' HB2' ' HG2' ' A' 1879 ' ' PRO . 56.0 Cg_endo -71.13 10.67 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.949 2.433 . . . . 0.69 113.717 -171.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 23.1 t -123.31 4.51 9.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.287 0.565 . . . . 1.54 109.846 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -86.52 131.97 34.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.0 -0.545 . . . . 1.16 110.398 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 42.3 t -79.99 -41.26 21.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.057 -0.52 . . . . 1.33 110.543 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 48.3 t80 -59.27 -54.39 47.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.154 -0.476 . . . . 1.91 111.323 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.418 HG23 ' HE3' ' A' 1933 ' ' LYS . 15.6 m -61.22 -41.01 96.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 0.6 111.064 -178.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.493 ' O ' HG13 ' A' 1951 ' ' ILE . 6.6 ttpm? -66.72 -42.32 86.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 1.2 110.499 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' 1948 ' ' LYS . 39.2 ttmt -59.42 -41.91 90.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 2.67 110.073 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.497 ' CB ' ' HE2' ' A' 1933 ' ' LYS . 47.0 mt-10 -63.71 -40.42 96.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.037 -0.528 . . . . 1.53 110.59 176.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.5 tt -64.23 -40.06 95.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.442 -0.344 . . . . 0.31 110.394 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' 1947 ' ' LYS . 78.6 mt -59.57 -41.75 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.942 -0.392 . . . . 0.35 109.942 176.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.41 -43.58 98.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.143 -0.481 . . . . 2.11 110.313 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.615 ' O ' HG23 ' A' 1957 ' ' VAL . 82.3 m -60.79 -42.75 98.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.565 . . . . 0.88 110.88 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . 0.445 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -62.53 -46.79 86.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.25 110.778 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.53 ' O ' ' HG3' ' A' 1959 ' ' GLU . 98.9 mtt180 -60.68 -33.13 72.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.02 -0.536 . . . . 3.21 110.452 178.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' 1960 ' ' LYS . 0.0 OUTLIER -66.89 -33.25 75.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.886 -0.597 . . . . 3.16 110.504 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.832 ' HB ' HG21 ' A' 1868 ' ' VAL . 37.9 t -77.48 -45.86 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.3 110.561 -178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 69.5 m -54.77 -37.91 66.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.97 -0.559 . . . . 1.13 111.403 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' 1955 ' ' ARG . 60.3 mt-10 -68.81 -33.05 73.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.42 . . . . 1.86 110.702 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.2 mmtt -74.3 -39.04 63.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.145 -0.479 . . . . 0.65 110.634 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.82 HG11 ' HB2' ' A' 1865 ' ' ALA . 40.1 t -56.75 -44.97 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.85 0.357 . . . . 0.27 110.637 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 17.0 m -60.64 -34.89 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.023 -0.535 . . . . 1.3 110.665 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.602 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 37.4 m80 -74.52 -35.55 63.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.11 111.34 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.632 HG22 ' HB3' ' A' 1919 ' ' ARG . 78.2 t -61.8 -51.13 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.642 -0.503 . . . . 0.35 109.642 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' 1861 ' ' ALA . 69.3 mt -58.9 -40.25 83.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.586 -0.734 . . . . 0.35 110.635 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.11 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.608 . . . . 0.4 111.491 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.19 90.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.46 110.614 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.688 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.3 mm? -70.45 -55.15 9.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.846 -0.615 . . . . 0.5 110.939 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -66.22 -18.27 65.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.97 -0.559 . . . . 1.7 112.14 -174.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.671 0 CA-C-N 116.683 -0.235 . . . . 0.93 110.824 178.153 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.748 0.308 . . . . 0.74 111.325 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.28 -45.98 68.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.935 0.398 . . . . 0.87 110.173 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 34.6 m -61.05 -39.51 90.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.97 110.832 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 72.8 mt -60.95 -49.65 83.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 121.054 0.454 . . . . 0.32 110.449 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 25.4 m -63.84 -39.01 93.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.61 111.162 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -65.82 -36.35 83.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.709 0.29 . . . . 2.49 110.551 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.604 ' O ' ' HG ' ' A' 1838 ' ' LEU . . . -62.04 -40.32 95.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.34 110.278 176.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.74 -54.12 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.49 110.568 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -59.16 -54.26 48.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.54 -0.754 . . . . 0.72 111.907 -176.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -59.19 -30.61 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.146 0.424 . . . . 1.0 112.146 -172.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' 1834 ' ' ALA . 92.7 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.088 0.471 . . . . 0.79 110.905 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.54 ' HE1' HD11 ' A' 1916 ' ' ILE . 83.9 t80 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.011 0.434 . . . . 0.68 110.737 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.1 p -64.89 -36.63 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.79 110.939 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.77 -50.69 65.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.083 0.468 . . . . 1.71 110.635 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . 0.436 ' HD1' ' HB3' ' A' 1899 ' ' GLN . 57.7 m-85 -65.48 -33.88 76.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.863 -0.608 . . . . 1.07 111.041 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.61 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 7.1 tt0 -61.13 -53.17 60.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.423 -0.353 . . . . 0.99 110.507 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 6.9 p -60.1 -28.68 68.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.426 -0.352 . . . . 1.46 111.807 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 51.1 m -78.16 -51.35 10.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.748 0.308 . . . . 0.42 111.032 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.3 mtp -62.04 -39.82 93.64 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.284 0.476 . . . . 0.71 112.284 -174.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.682 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.6 m -62.26 -32.82 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.598 -0.441 . . . . 0.29 111.011 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -72.15 -49.45 35.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.926 0.394 . . . . 3.02 110.488 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.528 ' HB ' HD21 ' A' 1896 ' ' LEU . 19.3 m -65.05 -33.33 75.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 0.35 110.881 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.52 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.56 -45.04 94.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.478 -0.328 . . . . 0.25 110.507 176.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.682 ' HG3' ' O ' ' A' 1858 ' ' VAL . 62.1 mttm -58.81 -36.71 74.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.446 -0.343 . . . . 1.31 110.439 175.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.94 -49.51 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 0.41 111.264 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.695 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -67.43 -25.4 33.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.952 0.406 . . . . 0.28 110.202 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.71 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -67.75 -28.87 67.99 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.016 -0.538 . . . . 0.2 110.751 176.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' 1862 ' ' LYS . 58.4 t -73.27 -35.03 45.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.106 0.479 . . . . 0.73 109.718 175.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 20.6 m -66.89 -45.62 77.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.25 110.972 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.803 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.8 p -65.74 -35.69 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.713 0.292 . . . . 0.28 110.812 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -71.75 -26.96 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.91 109.817 178.321 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' 1869 ' ' GLN . 4.0 tp10 -73.09 -34.83 66.44 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.566 -0.531 . . . . 0.57 109.566 176.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.53 ' SD ' HD22 ' A' 1882 ' ' LEU . 3.7 mmt -55.77 -53.49 56.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.843 -0.617 . . . . 1.25 111.592 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 9.3 p -60.5 -39.42 81.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.255 0.55 . . . . 0.59 111.001 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 47.7 m -72.09 -43.03 65.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.615 -0.72 . . . . 0.44 111.358 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.799 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 10.0 mmpt? -73.83 -33.75 64.28 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 111.596 0.221 . . . . 1.4 111.596 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 23.6 t -60.57 -30.28 69.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.2 0.524 . . . . 1.11 110.076 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -81.55 -23.83 36.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 0.76 111.833 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . 0.438 ' OG1' ' HA ' ' A' 1874 ' ' LYS . 7.8 p -109.4 -44.93 3.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.171 0.804 . . . . 1.32 113.171 -172.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . 0.433 ' HA ' ' HD2' ' A' 1879 ' ' PRO . 6.7 t -152.57 101.77 2.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.761 -0.459 . . . . 1.17 109.761 -174.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' 1878 ' ' SER . 29.1 Cg_endo -63.13 -29.4 74.39 Favored 'Trans proline' 0 N--CA 1.467 -0.079 0 C-N-CA 122.929 2.419 . . . . 0.67 113.046 -175.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.04 -23.57 62.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.663 0.268 . . . . 2.24 111.275 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.751 ' O ' ' HG ' ' A' 1885 ' ' LEU . 35.6 mm-40 -71.96 -12.62 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 1.89 110.72 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.53 HD22 ' SD ' ' A' 1871 ' ' MET . 84.8 mt -72.3 -19.7 61.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.4 -0.363 . . . . 0.34 110.729 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . 0.403 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -66.77 -55.59 16.55 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.831 -0.699 . . . . 0.38 112.836 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' 1883 ' ' GLY . 10.2 Cg_endo -58.13 -37.59 94.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.276 1.984 . . . . 0.58 112.303 174.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' 1881 ' ' GLU . 25.1 mt -67.17 -40.95 86.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.781 0.324 . . . . 0.37 110.496 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . 0.596 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.66 -30.2 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.365 0.602 . . . . 0.36 110.196 177.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -73.54 -52.37 13.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.293 -0.867 . . . . 1.43 110.751 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.14 -45.12 93.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.05 -0.523 . . . . 1.07 112.109 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.15 -27.57 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.226 0.536 . . . . 0.25 110.383 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 49.2 m -81.07 -46.55 14.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.414 -0.812 . . . . 0.28 111.417 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 78.1 p -66.29 -51.09 60.88 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.929 0.395 . . . . 1.17 111.058 -172.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.502 ' HA ' ' HB3' ' A' 1895 ' ' ARG . 2.5 m-20 -66.34 -25.47 66.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.914 -0.585 . . . . 0.8 111.778 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 42.1 t80 -68.46 -43.51 76.85 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.659 -0.416 . . . . 0.31 110.254 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -70.3 -29.43 70.22 Favored Glycine 0 CA--C 1.504 -0.639 0 N-CA-C 109.771 -1.332 . . . . 0.31 109.771 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.502 ' HB3' ' HA ' ' A' 1892 ' ' ASP . 39.4 ttt180 -62.36 -49.11 76.84 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 113.967 -1.116 . . . . 3.04 110.126 171.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.528 HD21 ' HB ' ' A' 1860 ' ' THR . 10.5 mt -57.96 -47.21 83.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.44 -0.345 . . . . 0.86 111.03 176.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -58.06 -25.71 61.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.753 -0.658 . . . . 0.49 111.795 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 10.1 t -66.59 -45.31 79.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.628 -0.26 . . . . 1.38 110.433 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.499 ' O ' ' HD2' ' A' 1902 ' ' PRO . 0.7 OUTLIER -77.6 -24.59 49.61 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.452 0.168 . . . . 1.56 111.452 178.528 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.96 79.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.693 0.283 . . . . 0.34 111.532 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.889 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 7.9 mtpm? -60.52 -58.84 16.39 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.339 -0.391 . . . . 2.27 111.486 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.889 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 22.6 Cg_exo -65.87 -32.13 46.25 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.202 1.934 . . . . 0.6 112.641 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.44 93.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.368 . . . . 0.39 110.952 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -67.52 -43.84 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.46 111.492 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.535 HG12 ' HA ' ' A' 1902 ' ' PRO . 11.1 p -76.42 -31.54 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 116.303 -0.408 . . . . 1.26 111.561 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -80.26 -8.56 59.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.009 0.433 . . . . 0.64 110.57 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.1 143.37 52.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.7 -0.682 . . . . 0.85 110.422 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.11 -52.22 13.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.075 -0.512 . . . . 2.67 110.779 -177.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.575 ' HB2' HG12 ' A' 1912 ' ' ILE . 2.8 m-20 -86.31 138.28 31.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.154 -0.475 . . . . 2.18 110.356 178.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.59 -40.8 97.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.087 -0.506 . . . . 2.24 110.24 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' 1911 ' ' GLU . 1.9 mp0 -63.17 -33.64 75.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.908 -0.587 . . . . 2.49 110.864 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.575 HG12 ' HB2' ' A' 1909 ' ' ASN . 34.3 mm -68.13 -47.73 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.41 . . . . 0.89 110.286 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.69 -41.36 99.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.619 -0.8 . . . . 0.51 111.525 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' 1917 ' ' LYS . . . -61.79 -37.63 85.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.121 0.486 . . . . 0.46 110.77 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.8 t-160 -66.04 -40.36 90.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.726 -0.67 . . . . 1.62 110.534 -177.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.54 HD11 ' HE1' ' A' 1850 ' ' PHE . 94.0 mt -63.54 -54.9 26.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.4 110.975 178.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.694 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.1 ptmt -61.66 -34.43 75.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 1.36 110.889 -175.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -71.86 -29.63 64.58 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.807 0.299 . . . . 1.91 111.807 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.808 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 28.7 mmt180 -76.61 -31.82 57.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.882 0.373 . . . . 2.55 110.644 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1916 ' ' ILE . 21.3 t -71.54 -25.55 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.504 -0.554 . . . . 0.35 109.504 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.694 ' HG2' ' O ' ' A' 1917 ' ' LYS . 23.7 mm-40 -63.34 -38.59 91.74 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.212 -0.662 . . . . 1.22 109.212 172.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.902 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 4.6 mt-10 -60.16 -51.62 68.8 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.518 -0.765 . . . . 1.49 109.757 176.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.17 -38.38 70.82 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.559 -0.746 . . . . 0.67 110.299 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -56.33 -52.18 51.43 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.842 -0.694 . . . . 0.64 112.168 177.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -71.5 -38.45 71.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.684 0.278 . . . . 0.69 110.948 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.45 -56.4 10.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.082 -0.58 . . . . 0.25 112.642 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 73.5 m -60.33 -37.96 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 1.22 110.438 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' 1924 ' ' GLY . 15.1 t -59.81 -52.21 66.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.196 -0.457 . . . . 1.03 110.261 176.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.25 93.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.28 110.818 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.582 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.21 -53.07 62.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.76 -0.654 . . . . 0.28 110.715 -178.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' 1886 ' ' ALA . 30.9 m -67.32 -33.47 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.953 -0.299 . . . . 0.26 111.083 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.1 m -61.7 -46.67 88.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.028 0.442 . . . . 0.8 110.156 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.65 -36.59 84.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.826 -0.625 . . . . 1.27 111.001 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . 0.62 ' O ' ' HG3' ' A' 1938 ' ' GLN . . . -59.74 -47.15 86.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.56 0.219 . . . . 0.3 110.822 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.21 -43.8 96.9 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.628 -0.796 . . . . 0.4 111.976 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.39 74.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.5 111.084 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' 1937 ' ' LEU . 2.7 tm? -73.78 -27.75 61.3 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.697 -0.483 . . . . 0.41 109.697 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . 0.62 ' HG3' ' O ' ' A' 1934 ' ' ALA . 46.1 mt-30 -77.39 -26.5 51.83 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.212 0.53 . . . . 1.06 110.389 176.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 50.6 t -73.82 -35.98 64.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.439 -0.8 . . . . 1.43 109.475 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 19.7 m -133.55 72.23 74.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.8 110.011 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.1 -11.43 32.21 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.73 2.287 . . . . 0.69 112.378 -174.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 41.7 t -97.4 -5.38 36.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.31 -0.859 . . . . 1.54 110.963 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.44 114.51 22.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 1.16 110.652 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 52.0 t -67.74 -32.18 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.772 -0.649 . . . . 1.33 110.613 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.437 ' O ' ' HG2' ' A' 1949 ' ' GLU . 66.1 t80 -59.02 -57.1 14.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 1.91 110.987 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.443 ' HB ' HD23 ' A' 1937 ' ' LEU . 19.4 m -61.66 -37.97 86.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.823 0.344 . . . . 0.6 111.065 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' 1951 ' ' ILE . 39.5 ttpt -63.6 -44.85 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 1.2 110.053 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' 1948 ' ' LYS . 17.4 ttpp -59.5 -45.21 92.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.99 -0.55 . . . . 2.67 110.29 175.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' 1945 ' ' TYR . 46.3 mm-40 -54.81 -45.71 74.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.746 -0.661 . . . . 1.53 110.583 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.501 ' HG ' HD23 ' A' 1930 ' ' LEU . 9.5 tt -66.48 -40.68 89.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.297 -0.41 . . . . 0.31 110.86 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' 1947 ' ' LYS . 81.4 mt -57.24 -42.06 79.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.175 0.512 . . . . 0.35 110.115 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.634 ' O ' ' HG3' ' A' 1956 ' ' ARG . 82.8 mt-10 -72.73 -35.92 67.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.736 . . . . 2.11 110.639 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.417 ' O ' HG23 ' A' 1957 ' ' VAL . 90.6 m -63.89 -36.7 84.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.88 110.579 176.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.21 76.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.25 111.287 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' 1952 ' ' GLU . 39.5 ptt180 -65.41 -27.17 68.35 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.706 -0.398 . . . . 3.21 110.546 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.634 ' HG3' ' O ' ' A' 1952 ' ' GLU . 57.7 mtt180 -60.42 -56.8 17.03 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.983 0.42 . . . . 3.16 109.912 174.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.803 ' HB ' HG21 ' A' 1868 ' ' VAL . 38.0 t -60.46 -39.2 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.3 110.862 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 18.4 m -57.02 -35.43 69.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 1.13 111.169 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' 1955 ' ' ARG . 58.6 mt-10 -76.17 -36.7 58.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.459 . . . . 1.86 110.6 177.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.902 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.3 mmtt -65.55 -36.81 84.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.756 -0.656 . . . . 0.65 110.574 -177.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' 1865 ' ' ALA . 60.5 t -56.57 -50.31 73.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.094 0.474 . . . . 0.27 110.445 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 9.0 t -61.34 -35.6 77.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.44 -0.8 . . . . 1.3 110.223 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.808 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 19.1 m170 -62.79 -46.96 85.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 1.11 111.077 177.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' 1960 ' ' LYS . 61.0 t -61.82 -48.64 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.35 110.422 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' 1861 ' ' ALA . 91.3 mt -54.79 -49.66 70.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.35 110.736 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.36 75.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 0.4 111.393 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.23 90.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.799 0.333 . . . . 0.46 110.878 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.61 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -68.34 -46.61 69.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.49 . . . . 0.5 110.72 177.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.3 -20.76 64.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 1.7 111.277 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 CA-C-O 121.185 0.517 . . . . 0.93 110.606 177.305 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 120.922 0.391 . . . . 0.74 110.703 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.63 -36.25 83.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 0.87 110.346 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 72.5 m -59.8 -29.47 68.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.84 -0.618 . . . . 0.97 110.804 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.451 HG23 ' CE2' ' A' 1893 ' ' TYR . 68.1 mt -70.68 -47.85 61.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.212 -0.449 . . . . 0.32 110.358 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 17.2 m -68.1 -40.66 82.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.61 111.051 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -65.89 -31.78 72.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.658 0.266 . . . . 2.49 110.648 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.501 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -63.53 -27.95 69.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.064 0.459 . . . . 0.34 110.728 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.67 -54.6 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.822 -0.627 . . . . 0.49 109.959 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -65.6 -36.61 84.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.41 -0.814 . . . . 0.72 112.091 -174.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' 1834 ' ' ALA . 26.1 pt20 -59.25 -33.96 71.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.633 0.254 . . . . 1.0 111.433 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.48 -0.327 . . . . 0.79 111.235 -176.12 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.5 ' HE1' HD11 ' A' 1916 ' ' ILE . 54.5 t80 . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.739 0.304 . . . . 0.68 110.346 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.3 p -59.28 -33.12 49.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.181 -0.463 . . . . 0.79 111.509 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.73 -50.53 35.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.038 0.447 . . . . 1.71 110.551 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.4 -34.35 77.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 1.07 110.347 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.702 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.8 tt0 -55.54 -57.23 12.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.99 110.243 173.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 27.4 m -57.57 -37.14 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 1.46 111.091 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 29.8 m -72.79 -52.17 16.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.142 -0.481 . . . . 0.42 111.262 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.3 mtp -64.61 -38.44 91.01 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.32 0.489 . . . . 0.71 112.32 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.663 ' O ' ' HG2' ' A' 1862 ' ' LYS . 31.0 m -62.65 -35.71 71.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.183 -0.607 . . . . 0.29 110.733 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -71.42 -38.88 71.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.984 0.421 . . . . 3.02 110.733 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.661 ' HB ' HD21 ' A' 1896 ' ' LEU . 6.1 m -69.13 -36.09 77.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.18 -0.463 . . . . 0.35 110.495 179.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.602 ' HB3' HD21 ' A' 1965 ' ' LEU . . . -63.64 -36.1 82.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.25 110.976 177.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' 1858 ' ' VAL . 68.9 mmtt -58.99 -40.8 85.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.235 0.54 . . . . 1.31 110.148 176.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.81 81.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.349 -0.842 . . . . 0.41 111.616 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.755 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -79.11 -31.42 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.304 -0.558 . . . . 0.28 110.014 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.887 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.77 -41.4 71.75 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.47 -0.332 . . . . 0.2 111.434 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.403 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.2 p -66.17 -28.83 44.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 0.73 109.953 176.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 87.4 m -73.39 -46.86 46.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.25 111.174 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.814 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.3 p -67.96 -31.43 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.28 110.785 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.59 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -74.52 -26.99 60.34 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.358 -0.608 . . . . 0.91 109.358 176.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.496 ' HG3' ' CG ' ' A' 1874 ' ' LYS . 6.3 tp10 -74.6 -28.34 60.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.038 -0.528 . . . . 0.57 110.08 178.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.542 ' SD ' HD22 ' A' 1882 ' ' LEU . 8.3 mmt -55.62 -45.39 77.56 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.873 -0.603 . . . . 1.25 111.523 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.596 HG23 HG23 ' A' 1951 ' ' ILE . 9.7 p -65.04 -32.03 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.459 0.647 . . . . 0.59 110.778 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . 0.51 ' O ' HG22 ' A' 1877 ' ' THR . 88.4 m -80.17 -54.99 5.24 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.351 -0.84 . . . . 0.44 110.661 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.812 ' HG3' HD11 ' A' 1885 ' ' LEU . 8.9 mmpt? -59.33 -40.47 86.43 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.167 -0.47 . . . . 1.4 111.493 -177.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 9.6 t -59.56 -24.9 64.1 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.122 0.487 . . . . 1.11 110.875 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -82.03 -43.16 18.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.605 . . . . 0.76 112.141 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . 0.51 HG22 ' O ' ' A' 1873 ' ' THR . 1.5 t -108.81 -25.1 10.97 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.395 0.887 . . . . 1.32 113.395 -169.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 22.7 m -158.06 76.44 3.67 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.109 -0.33 . . . . 1.17 110.109 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.14 -17.66 59.42 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.73 2.287 . . . . 0.67 112.886 -175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.17 -17.91 61.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.832 0.349 . . . . 2.24 111.178 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.582 ' O ' ' HG ' ' A' 1885 ' ' LEU . 22.6 mt-10 -81.77 -9.77 59.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 1.89 110.922 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.542 HD22 ' SD ' ' A' 1871 ' ' MET . 95.0 mt -67.27 -34.04 76.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.34 111.197 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -59.63 -54.45 37.61 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 121.172 -0.537 . . . . 0.38 112.841 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.87 -39.14 78.99 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.863 2.376 . . . . 0.58 112.489 172.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.812 HD11 ' HG3' ' A' 1874 ' ' LYS . 77.9 mt -68.74 -45.24 71.99 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.467 -0.333 . . . . 0.37 110.589 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.07 -31.14 64.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.115 -0.493 . . . . 0.36 109.777 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -72.98 -49.92 26.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.713 -0.676 . . . . 1.43 110.758 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.57 -42.2 92.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.506 -0.316 . . . . 1.07 110.704 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.501 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.9 tp -55.21 -44.4 75.35 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.697 -0.483 . . . . 0.25 109.697 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 43.2 m -62.49 -48.8 77.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.406 -0.816 . . . . 0.28 111.013 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 8.5 t -64.31 -51.68 62.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.541 -0.754 . . . . 1.17 111.508 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.453 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 5.0 m-20 -67.2 -34.97 78.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.596 -0.274 . . . . 0.8 111.374 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . 0.451 ' CE2' HG23 ' A' 1831 ' ' ILE . 67.3 t80 -63.2 -44.12 96.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.31 110.429 176.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.22 -35.48 78.14 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.983 -0.627 . . . . 0.31 111.854 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.453 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 91.0 mtt180 -66.83 -49.82 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.0 -0.37 . . . . 3.04 110.0 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.661 HD21 ' HB ' ' A' 1860 ' ' THR . 20.0 mt -57.07 -44.14 82.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.114 -0.494 . . . . 0.86 111.568 177.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . 0.501 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -60.43 -31.11 70.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.995 -0.548 . . . . 0.49 111.522 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 23.2 t -74.87 -47.89 27.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.89 0.376 . . . . 1.38 110.152 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.442 ' O ' ' HD2' ' A' 1902 ' ' PRO . 71.0 mt-30 -66.31 -24.93 66.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 1.56 111.528 -176.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.37 -29.71 70.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.34 111.894 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.843 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 99.3 mttt -65.06 -60.05 8.79 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.794 -0.184 . . . . 2.27 111.312 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.843 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 25.5 Cg_exo -63.92 -31.57 66.95 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.858 1.705 . . . . 0.6 111.945 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.55 96.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.771 0.319 . . . . 0.39 110.8 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . 0.443 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -63.63 -41.17 98.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.46 111.001 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 45.4 t -75.52 -34.69 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.05 -0.523 . . . . 1.26 111.07 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -81.22 -12.07 59.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 0.64 111.775 -177.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . 0.456 ' HA ' ' CD1' ' A' 1850 ' ' PHE . . . -57.46 141.76 46.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 0.85 111.42 -177.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -64.26 -25.31 68.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 2.67 110.738 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.505 ' HB3' HG12 ' A' 1912 ' ' ILE . 40.8 t30 -131.45 134.65 46.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.638 -0.71 . . . . 2.18 109.229 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.4 -44.8 95.33 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.669 0.271 . . . . 2.24 111.479 -174.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.85 -26.75 67.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 2.49 111.114 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.505 HG12 ' HB3' ' A' 1909 ' ' ASN . 43.0 mm -69.49 -40.5 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.754 -0.462 . . . . 0.89 109.754 175.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -62.2 -44.09 98.2 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.83 -0.7 . . . . 0.51 111.458 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.99 93.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.273 0.559 . . . . 0.46 110.141 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.3 t-160 -61.72 -41.03 97.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.321 -0.854 . . . . 1.62 110.346 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.5 HD11 ' HE1' ' A' 1850 ' ' PHE . 85.0 mt -63.78 -54.97 25.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.4 111.3 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' 1921 ' ' GLN . 12.2 ptmm? -64.44 -31.44 72.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 1.36 111.14 -174.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -73.52 -26.94 61.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.472 -0.331 . . . . 1.91 110.518 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.729 ' HB3' HG22 ' A' 1964 ' ' VAL . 28.4 mmt180 -74.97 -30.24 61.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.798 0.332 . . . . 2.55 110.86 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.403 HG11 ' HA ' ' A' 1897 ' ' ALA . 42.4 t -69.18 -30.56 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.514 -0.55 . . . . 0.35 109.514 174.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' 1917 ' ' LYS . 18.4 mm-40 -63.61 -41.18 98.33 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.373 -0.603 . . . . 1.22 109.373 174.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.976 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 38.2 mm-40 -55.11 -49.29 72.1 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.045 -0.98 . . . . 1.49 110.156 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' 1923 ' ' LEU . 13.1 mt -62.94 -42.43 99.81 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.349 -0.841 . . . . 0.67 111.229 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.84 -51.6 38.71 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.032 -0.604 . . . . 0.64 112.621 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -60.43 -37.31 80.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.779 0.323 . . . . 0.69 111.213 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . 0.603 ' HA3' HG22 ' A' 1957 ' ' VAL . . . -76.49 -52.42 6.04 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.69 -0.767 . . . . 0.25 112.476 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 85.8 m -58.0 -43.98 86.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 122.302 0.241 . . . . 1.22 111.62 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 16.4 m -56.1 -46.15 79.18 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.111 0.481 . . . . 1.03 110.786 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.29 72.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 0.28 111.188 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.663 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.56 -51.29 69.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.928 -0.578 . . . . 0.28 111.133 -176.617 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 28.6 m -65.76 -32.35 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.26 110.716 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 68.3 m -69.97 -39.5 75.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 0.8 110.793 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.503 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 34.7 tptt -70.65 -39.34 73.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.291 -0.413 . . . . 1.27 110.489 -178.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.44 89.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.3 111.466 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.32 -37.43 91.91 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.797 -0.716 . . . . 0.4 112.103 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -80.47 -27.35 37.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.856 0.36 . . . . 0.5 110.869 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.475 HD12 HD12 ' A' 1882 ' ' LEU . 2.8 tm? -73.87 -36.05 64.79 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 116.256 -0.429 . . . . 0.41 110.065 -177.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.72 -26.08 67.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.143 0.497 . . . . 1.06 110.888 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 65.5 m -77.39 -18.89 56.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.79 -0.641 . . . . 1.43 110.458 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 7.1 m -141.51 59.76 10.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.8 109.686 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.77 7.48 2.75 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.701 2.267 . . . . 0.69 113.973 -169.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 25.0 t -119.99 -0.65 10.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.227 0.536 . . . . 1.54 109.874 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -78.93 140.12 38.13 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.923 -0.58 . . . . 1.16 110.682 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 16.9 m -85.2 -41.7 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.208 -0.451 . . . . 1.33 112.024 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.64 -48.22 75.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 1.91 111.197 -175.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 14.0 m -65.07 -40.28 94.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.073 -0.512 . . . . 0.6 110.881 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -67.02 -41.84 85.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 1.2 110.42 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -51.8 -48.4 63.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.671 -0.695 . . . . 2.67 111.006 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.503 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 31.4 mt-10 -65.54 -35.6 81.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.925 -0.58 . . . . 1.53 111.638 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.0 tt -68.92 -36.87 78.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.908 -0.404 . . . . 0.31 109.908 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.596 HG23 HG23 ' A' 1872 ' ' VAL . 96.7 mt -60.9 -43.41 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.06 0.457 . . . . 0.35 109.807 173.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.538 ' O ' ' HG3' ' A' 1956 ' ' ARG . 9.3 mm-40 -60.81 -50.47 73.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.69 -0.686 . . . . 2.11 110.378 176.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.576 ' O ' HG23 ' A' 1957 ' ' VAL . 33.8 t -59.88 -41.23 91.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.07 -0.514 . . . . 0.88 110.744 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.37 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.25 111.568 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' 1959 ' ' GLU . 35.7 ptt85 -69.74 -24.6 63.56 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.661 -0.416 . . . . 3.21 110.799 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' 1952 ' ' GLU . 85.6 mtt180 -75.54 -41.67 54.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.526 -0.306 . . . . 3.16 111.165 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.814 ' HB ' HG21 ' A' 1868 ' ' VAL . 88.0 t -64.91 -40.48 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.931 0.396 . . . . 0.3 110.536 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 50.8 m -56.92 -31.4 64.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.555 . . . . 1.13 111.863 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' 1955 ' ' ARG . 48.1 mt-10 -73.85 -24.95 59.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.309 0.576 . . . . 1.86 110.517 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.976 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 75.1 mmtt -76.32 -41.08 49.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 0.65 110.012 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.887 HG11 ' HB2' ' A' 1865 ' ' ALA . 12.1 t -57.86 -45.4 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.27 111.186 -177.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 22.4 p -62.77 -31.34 72.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 1.3 110.661 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.491 ' HB3' ' NE ' ' A' 1919 ' ' ARG . 60.1 m170 -76.0 -39.29 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 1.11 110.51 176.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.729 HG22 ' HB3' ' A' 1919 ' ' ARG . 64.9 t -59.77 -51.1 76.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.926 -0.398 . . . . 0.35 109.926 176.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.602 HD21 ' HB3' ' A' 1861 ' ' ALA . 84.1 mt -57.39 -45.45 84.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.704 -0.68 . . . . 0.35 110.967 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.86 70.2 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.843 -0.617 . . . . 0.4 112.028 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.89 -28.31 69.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.46 111.041 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.702 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.5 mm? -72.81 -48.88 34.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.5 111.564 -179.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -73.34 -18.95 61.13 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.851 -0.34 . . . . 1.7 110.705 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.45 . . . . 0.93 110.402 176.534 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.2 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.146 0.498 . . . . 0.74 109.741 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.41 -42.13 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.679 -0.691 . . . . 0.87 110.119 174.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 23.3 m -63.53 -36.37 83.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.97 110.996 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.452 HG23 ' CE2' ' A' 1893 ' ' TYR . 66.9 mt -66.66 -47.4 83.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.98 0.419 . . . . 0.32 110.342 177.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 37.2 m -62.56 -37.04 84.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.61 110.754 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.29 -41.19 98.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 2.49 110.014 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' 1837 ' ' GLN . . . -61.11 -35.68 77.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.561 . . . . 0.34 110.997 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . 0.485 ' HA ' HE22 ' A' 1921 ' ' GLN . 46.7 mt -62.57 -48.63 87.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.296 -0.411 . . . . 0.49 110.002 175.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -67.06 -38.15 85.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.493 -0.776 . . . . 0.72 112.142 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.3 pt20 -65.65 -33.36 75.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 1.0 110.542 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.548 HD23 ' HG2' ' A' 1901 ' ' LYS . 84.2 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.79 110.481 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.572 ' HE1' HD11 ' A' 1916 ' ' ILE . 86.8 t80 . . . . . 0 C--O 1.227 -0.086 0 N-CA-C 111.255 0.094 . . . . 0.68 111.255 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 8.9 p -61.85 -33.8 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.79 111.4 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.35 -48.4 70.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.128 0.49 . . . . 1.71 110.604 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -73.16 -34.48 66.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 1.07 110.669 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.666 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 57.0 tt0 -56.61 -57.09 13.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.469 -0.332 . . . . 0.99 110.922 177.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 15.8 p -60.55 -31.0 70.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 1.46 111.23 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 88.5 m -73.12 -51.68 17.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.38 -0.373 . . . . 0.42 110.866 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 87.9 mtp -65.23 -42.42 93.4 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.327 0.491 . . . . 0.71 112.327 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.719 ' O ' ' HG3' ' A' 1862 ' ' LYS . 18.9 m -62.93 -31.37 52.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.306 0 C-N-CA 120.123 -0.631 . . . . 0.29 110.748 -177.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -73.18 -43.64 61.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 3.02 110.626 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . . . . . . . . . 13.4 m -67.23 -33.11 74.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.35 110.684 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.523 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.68 -42.87 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.25 110.89 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.8 mttt -62.65 -32.34 73.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.138 0.494 . . . . 1.31 110.329 176.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.64 84.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.763 -0.653 . . . . 0.41 111.25 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.76 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.58 -29.15 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.1 -0.64 . . . . 0.28 109.838 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.848 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.99 -43.39 74.97 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.336 -0.393 . . . . 0.2 111.266 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.46 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 11.0 p -65.85 -25.38 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.226 0.536 . . . . 0.73 110.123 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 95.8 m -76.85 -47.67 20.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.013 -0.539 . . . . 0.25 111.147 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.716 HG23 HD11 ' A' 1930 ' ' LEU . 3.7 p -66.78 -34.61 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.869 0.366 . . . . 0.28 110.676 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.572 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -70.75 -26.0 63.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.644 -0.502 . . . . 0.91 109.644 176.532 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' 1874 ' ' LYS . 8.6 tp10 -75.77 -31.21 59.41 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.695 -0.483 . . . . 0.57 109.695 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.542 ' SD ' HD22 ' A' 1882 ' ' LEU . 8.5 mmt -55.06 -47.77 74.37 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.891 -0.595 . . . . 1.25 111.592 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.782 HG23 HG23 ' A' 1951 ' ' ILE . 10.0 p -64.43 -31.71 54.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.376 0.608 . . . . 0.59 110.709 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 96.4 m -79.12 -51.54 9.4 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.494 -0.775 . . . . 0.44 110.923 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.725 ' HG3' HD11 ' A' 1885 ' ' LEU . 8.5 mmpt? -63.63 -29.79 70.99 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.145 -0.48 . . . . 1.4 111.783 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.518 ' HB3' ' HG3' ' A' 1947 ' ' LYS . 50.3 m -62.32 -26.59 68.52 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.948 -0.701 . . . . 1.11 110.587 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -82.48 -33.02 28.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.883 -0.598 . . . . 0.76 111.485 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 20.0 p -108.34 -45.36 3.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.171 0.804 . . . . 1.32 113.171 -172.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 69.0 m -146.68 81.32 9.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.593 0.235 . . . . 1.17 110.97 -169.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.47 -23.36 76.55 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.676 2.251 . . . . 0.67 112.948 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.72 -18.22 61.02 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.12 -0.232 . . . . 2.24 111.54 -177.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.607 ' O ' ' HG ' ' A' 1885 ' ' LEU . 37.4 mt-10 -81.39 -10.54 59.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.06 -0.256 . . . . 1.89 111.318 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.542 HD22 ' SD ' ' A' 1871 ' ' MET . 90.6 mt -64.62 -33.97 77.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.578 0.228 . . . . 0.34 111.005 -177.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.53 -54.81 31.24 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.965 -0.636 . . . . 0.38 112.912 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.44 ' HD2' ' C ' ' A' 1881 ' ' GLU . 54.8 Cg_exo -55.16 -34.57 88.22 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.625 2.217 . . . . 0.58 112.741 172.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.725 HD11 ' HG3' ' A' 1874 ' ' LYS . 69.6 mt -71.87 -43.96 64.57 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.03 -0.268 . . . . 0.37 110.393 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.95 71.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.6 -0.519 . . . . 0.36 109.6 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -60.3 -53.77 53.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.149 -0.932 . . . . 1.43 111.328 177.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -67.56 -43.53 80.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.456 -0.338 . . . . 1.07 110.944 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.473 HD12 ' HB ' ' A' 1864 ' ' ILE . 52.1 tp -54.51 -40.5 68.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.009 0.433 . . . . 0.25 110.17 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 53.7 m -65.73 -47.14 76.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.637 -0.711 . . . . 0.28 111.053 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 12.8 t -68.98 -49.89 53.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.097 -0.502 . . . . 1.17 111.359 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -64.57 -32.32 73.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.8 110.834 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 42.6 t80 -62.59 -44.54 96.06 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.711 -0.396 . . . . 0.31 110.031 173.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.11 -32.44 63.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.084 -0.579 . . . . 0.31 112.052 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.554 ' O ' ' HG2' ' A' 1899 ' ' GLN . 65.1 mtp180 -67.94 -46.14 72.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.968 -0.382 . . . . 3.04 109.968 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . . . . . . . . . 64.7 mt -57.67 -46.12 84.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.86 110.752 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -66.8 -26.21 66.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.031 -0.531 . . . . 0.49 111.051 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 24.5 t -72.5 -39.71 67.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.219 -0.446 . . . . 1.38 110.251 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' 1895 ' ' ARG . 47.6 mm-40 -77.44 -36.16 53.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 1.56 110.608 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -59.31 -33.29 70.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.832 0.678 . . . . 0.34 112.832 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.879 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 8.6 mtpm? -60.51 -60.24 11.26 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 121.055 -0.258 . . . . 2.27 111.087 -178.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.879 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 15.6 Cg_exo -69.75 -29.36 24.01 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.877 1.718 . . . . 0.6 112.289 176.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.51 -35.36 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.772 0.32 . . . . 0.39 111.058 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . 0.456 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -61.59 -46.09 91.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.46 111.207 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' 1902 ' ' PRO . 9.9 p -76.67 -26.49 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.943 0.402 . . . . 1.26 110.949 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.32 -18.24 59.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.64 111.125 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -66.73 156.54 35.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.494 -0.321 . . . . 0.85 110.897 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -77.6 -17.46 57.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.051 -0.522 . . . . 2.67 110.795 -175.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 41.4 t30 -139.7 137.82 35.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.55 . . . . 2.18 110.221 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -54.02 -40.05 66.69 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.583 0.552 . . . . 2.24 111.01 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' 1915 ' ' HIS . 43.0 mt-10 -60.3 -39.04 85.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 2.49 111.016 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' 1916 ' ' ILE . 46.0 mm -67.08 -45.34 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.209 -0.45 . . . . 0.89 109.98 178.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.87 -44.8 97.35 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.808 -0.71 . . . . 0.51 111.692 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' 1917 ' ' LYS . . . -59.67 -42.54 93.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.16 0.505 . . . . 0.46 110.234 175.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.424 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.3 t-80 -60.08 -43.01 95.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.272 -0.876 . . . . 1.62 110.192 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.572 HD11 ' HE1' ' A' 1850 ' ' PHE . 86.3 mt -61.06 -56.22 19.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 0.4 111.22 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.628 ' O ' ' HG2' ' A' 1921 ' ' GLN . 9.9 ptpt -64.06 -38.59 91.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 1.36 111.162 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -69.09 -30.95 69.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.581 0.229 . . . . 1.91 111.056 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.738 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 1.6 mmp_? -78.12 -24.7 47.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.849 0.357 . . . . 2.55 110.696 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' 1916 ' ' ILE . 61.8 t -73.94 -28.88 24.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.277 0.561 . . . . 0.35 109.494 173.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.2 mm-40 -62.0 -31.45 71.82 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.987 -0.552 . . . . 1.22 109.91 174.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.507 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 37.3 mm-40 -55.56 -53.88 50.95 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.776 -0.647 . . . . 1.49 110.349 177.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.682 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.0 mt -66.97 -29.64 69.55 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.53 -0.544 . . . . 0.67 109.53 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -57.04 -33.7 64.66 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.577 -0.82 . . . . 0.64 111.978 176.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -94.71 -42.57 8.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.741 0.305 . . . . 0.69 110.435 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -70.61 -53.11 13.13 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.167 -0.47 . . . . 0.25 113.06 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.682 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 92.4 m -62.7 -34.81 77.91 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.194 -0.299 . . . . 1.22 110.194 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' 1924 ' ' GLY . 23.1 t -56.49 -50.31 72.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.302 0.572 . . . . 1.03 109.841 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.31 86.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.402 -0.817 . . . . 0.28 110.83 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.716 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.61 -53.63 55.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 0.28 110.744 -178.255 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.6 m -64.25 -39.19 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.26 110.564 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 95.1 m -62.8 -40.98 99.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.12 0.486 . . . . 0.8 110.57 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.567 ' HE3' HG23 ' A' 1946 ' ' THR . 42.9 tptt -67.52 -39.55 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.797 -0.638 . . . . 1.27 110.262 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -57.29 -45.55 84.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 0.3 111.157 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.49 -41.96 97.39 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.755 -0.736 . . . . 0.4 112.182 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.06 65.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.879 0.371 . . . . 0.5 110.874 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.08 -42.81 62.61 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.66 -0.496 . . . . 0.41 109.66 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.7 -24.88 67.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.927 0.394 . . . . 1.06 111.5 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 99.3 m -67.59 -31.76 72.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.016 -0.538 . . . . 1.43 110.667 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.6 m -151.8 72.06 8.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.551 -0.537 . . . . 0.8 109.551 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.84 -22.56 18.25 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.511 2.808 . . . . 0.69 113.332 -176.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 47.8 m -70.15 -20.88 63.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.948 -0.569 . . . . 1.54 112.144 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.48 113.7 8.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.418 . . . . 1.16 110.889 -174.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 41.4 t -71.04 -39.51 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.556 . . . . 1.33 110.989 -176.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.475 ' O ' ' HG3' ' A' 1949 ' ' GLU . 43.1 t80 -62.33 -50.26 72.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.5 . . . . 1.91 110.585 -176.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.567 HG23 ' HE3' ' A' 1933 ' ' LYS . 31.7 m -62.37 -40.84 97.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.081 -0.509 . . . . 0.6 110.806 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.518 ' HG3' ' HB3' ' A' 1875 ' ' SER . 38.6 ttpt -63.4 -43.98 95.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 1.2 110.476 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.403 ' HA ' HD12 ' A' 1951 ' ' ILE . 40.5 ttmt -64.57 -38.36 90.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 2.67 110.546 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' 1945 ' ' TYR . 50.9 mt-10 -64.72 -34.4 78.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.614 -0.266 . . . . 1.53 110.984 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.55 -38.91 77.66 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.617 -0.512 . . . . 0.31 109.617 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.782 HG23 HG23 ' A' 1872 ' ' VAL . 91.7 mt -56.56 -43.58 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.194 0.521 . . . . 0.35 109.712 172.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.604 ' O ' ' HG3' ' A' 1956 ' ' ARG . 21.2 mm-40 -62.95 -46.55 87.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.59 -0.732 . . . . 2.11 110.744 175.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.473 ' O ' HG23 ' A' 1957 ' ' VAL . 73.3 m -57.42 -41.92 81.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.767 0.317 . . . . 0.88 110.538 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.59 -51.41 69.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 0.25 111.637 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.532 ' O ' ' HG3' ' A' 1959 ' ' GLU . 7.5 ptm180 -62.73 -34.28 76.85 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.768 -0.373 . . . . 3.21 110.997 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.604 ' HG3' ' O ' ' A' 1952 ' ' GLU . 97.6 mtt180 -66.09 -45.57 80.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.849 0.357 . . . . 3.16 110.816 178.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.657 ' HB ' HG21 ' A' 1868 ' ' VAL . 91.7 t -65.51 -40.95 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.3 110.643 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.1 m -57.97 -36.62 72.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.362 -0.381 . . . . 1.13 110.915 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.0 mt-10 -64.59 -35.34 80.68 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.153 0.501 . . . . 1.86 110.376 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.507 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.1 mmtt -70.48 -40.56 73.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.758 -0.655 . . . . 0.65 110.79 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.848 HG11 ' HB2' ' A' 1865 ' ' ALA . 22.1 t -55.39 -41.98 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.944 0.402 . . . . 0.27 110.48 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 44.0 t -57.03 -40.24 76.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.73 -0.668 . . . . 1.3 110.623 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 65.0 m170 -76.9 -29.57 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 1.11 110.734 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' 1960 ' ' LYS . 67.1 t -67.82 -49.91 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.111 0.482 . . . . 0.35 109.831 175.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' 1969 ' ' GLN . 82.3 mt -59.08 -41.27 87.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.697 -0.683 . . . . 0.35 110.495 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.41 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.791 -0.641 . . . . 0.4 111.202 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -58.03 -42.19 84.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 0.46 110.865 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.666 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -72.1 -39.55 68.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.5 110.734 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' 1965 ' ' LEU . 31.4 mm-40 -64.69 -32.71 74.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.214 -0.448 . . . . 1.7 110.53 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.93 111.282 -178.867 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 121.036 0.446 . . . . 0.74 110.387 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.34 -39.92 93.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.87 109.985 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 22.6 t -63.69 -38.78 92.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.996 -0.547 . . . . 0.97 110.023 177.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.61 HG23 ' CE2' ' A' 1893 ' ' TYR . 30.2 mt -66.15 -43.59 92.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.107 -0.497 . . . . 0.32 110.235 176.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 50.9 m -60.16 -41.11 92.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.61 110.757 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.25 -39.8 88.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 2.49 110.17 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.511 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -65.29 -30.57 71.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.604 . . . . 0.34 111.511 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' 1831 ' ' ILE . 23.9 mt -65.85 -49.03 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.351 0.596 . . . . 0.49 109.853 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -71.21 -39.58 71.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.26 -0.882 . . . . 0.72 111.717 -175.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.2 pt20 -61.73 -25.78 67.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.518 -176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' 1834 ' ' ALA . 80.1 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.034 0.445 . . . . 0.79 110.58 178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.535 ' HE1' HD11 ' A' 1916 ' ' ILE . 91.1 t80 . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.732 0.301 . . . . 0.68 110.233 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.6 p -60.86 -37.2 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.79 111.071 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.09 -50.66 67.43 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.134 0.493 . . . . 1.71 110.458 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -70.56 -36.23 73.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.824 -0.626 . . . . 1.07 111.39 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.657 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 59.7 tt0 -55.58 -55.85 27.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.098 0.249 . . . . 0.99 111.386 -179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.497 ' O ' ' HG3' ' A' 1859 ' ' ARG . 13.2 t -63.09 -34.3 77.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.43 -0.35 . . . . 1.46 111.175 -175.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 26.2 m -74.4 -44.87 50.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.761 0.315 . . . . 0.42 110.943 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 37.2 mmm -61.52 -42.39 98.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.71 111.706 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.712 ' O ' ' HG3' ' A' 1862 ' ' LYS . 31.0 m -64.01 -30.15 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.348 -0.541 . . . . 0.29 110.648 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' 1855 ' ' THR . 63.6 mtp180 -71.62 -47.85 51.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.823 0.345 . . . . 3.02 110.434 178.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.584 ' HB ' HD13 ' A' 1896 ' ' LEU . 3.0 m -65.02 -33.73 76.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.35 110.989 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' 1864 ' ' ILE . . . -65.19 -42.35 93.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.372 -0.376 . . . . 0.25 110.948 178.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.712 ' HG3' ' O ' ' A' 1858 ' ' VAL . 80.6 mttt -64.03 -35.29 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.032 0.444 . . . . 1.31 110.039 177.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.98 92.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.565 -0.743 . . . . 0.41 111.32 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.739 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.73 -28.03 14.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.441 -0.503 . . . . 0.28 110.196 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.859 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -69.65 -43.04 73.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.347 -0.388 . . . . 0.2 111.469 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.423 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.3 p -66.85 -26.32 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.73 110.002 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 75.6 m -74.22 -47.71 33.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.61 -0.723 . . . . 0.25 110.844 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.824 HG21 ' HB ' ' A' 1957 ' ' VAL . 7.3 p -69.38 -32.38 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.723 0.297 . . . . 0.28 111.063 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -69.53 -26.2 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.325 0.583 . . . . 0.91 109.431 175.628 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.468 ' HG3' ' HG3' ' A' 1874 ' ' LYS . 7.5 tp10 -77.83 -33.09 52.51 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 116.078 -0.51 . . . . 0.57 109.685 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.512 ' SD ' HD22 ' A' 1882 ' ' LEU . 5.6 mmt -54.14 -54.93 32.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.888 -0.596 . . . . 1.25 111.358 177.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.665 HG23 HG23 ' A' 1951 ' ' ILE . 11.9 p -59.32 -36.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.516 0.674 . . . . 0.59 110.969 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 85.9 m -76.28 -46.85 25.98 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.125 -0.943 . . . . 0.44 111.118 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.569 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 7.3 mmpt? -77.21 -25.38 51.63 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 116.189 -0.459 . . . . 1.4 111.819 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.445 ' O ' ' HD2' ' A' 1947 ' ' LYS . 20.6 t -63.01 -31.26 72.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.32 0.581 . . . . 1.11 110.036 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -80.0 -27.5 39.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.568 -0.742 . . . . 0.76 111.622 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 11.5 p -109.34 -45.54 3.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.994 0.738 . . . . 1.32 112.994 -172.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . 0.426 ' HB3' ' HG3' ' A' 1881 ' ' GLU . 69.5 m -140.82 91.29 9.25 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.336 -0.393 . . . . 1.17 111.07 -169.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.8 -27.1 37.96 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.549 2.166 . . . . 0.67 113.326 -174.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.71 -9.8 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 2.24 111.194 -177.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' 1885 ' ' LEU . 31.0 mt-10 -82.14 -10.26 59.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 1.89 110.577 174.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.512 HD22 ' SD ' ' A' 1871 ' ' MET . 95.8 mt -72.63 -31.13 64.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.491 . . . . 0.34 111.639 -176.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . 0.412 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -60.59 -55.36 30.38 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.941 -0.647 . . . . 0.38 113.174 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' 1883 ' ' GLY . 9.9 Cg_endo -56.39 -35.81 96.62 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.531 2.154 . . . . 0.58 112.371 174.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' 1881 ' ' GLU . 80.2 mt -70.93 -43.06 68.99 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.567 -0.288 . . . . 0.37 110.466 179.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.71 -36.49 69.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.264 -0.426 . . . . 0.36 109.874 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -71.78 -44.22 64.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.099 -0.5 . . . . 1.43 110.687 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.51 -47.85 79.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 1.07 110.58 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.664 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 44.4 tp -54.66 -43.25 72.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.25 109.889 176.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . 0.497 HG23 HG13 ' A' 1831 ' ' ILE . 51.8 m -61.79 -49.61 75.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.555 -0.748 . . . . 0.28 111.382 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' 1895 ' ' ARG . 81.5 p -67.7 -48.46 66.47 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.904 0.383 . . . . 1.17 111.29 -173.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . 0.439 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 7.4 m-20 -62.78 -37.6 87.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.973 -0.558 . . . . 0.8 111.273 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . 0.61 ' CE2' HG23 ' A' 1831 ' ' ILE . 50.9 t80 -63.02 -44.69 95.27 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.762 -0.375 . . . . 0.31 110.488 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.56 -42.4 90.25 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.84 -0.695 . . . . 0.31 111.72 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 74.4 mtt180 -61.98 -49.98 73.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.799 0.333 . . . . 3.04 110.493 177.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.584 HD13 ' HB ' ' A' 1860 ' ' THR . 21.2 tp -56.79 -51.47 68.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.826 -0.625 . . . . 0.86 110.892 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.17 -30.6 71.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.34 -0.391 . . . . 0.49 111.716 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 49.5 m -73.28 -32.3 64.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.851 0.357 . . . . 1.38 110.755 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -79.36 -29.3 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.995 -0.548 . . . . 1.56 110.825 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.72 97.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.688 -0.687 . . . . 0.34 112.75 -174.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.526 ' HB3' ' HD3' ' A' 1902 ' ' PRO . 5.0 tmtt? -65.12 -54.62 32.17 Favored Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 121.002 -0.279 . . . . 2.27 111.405 -176.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 32.6 Cg_exo -61.01 -30.18 89.26 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.038 1.825 . . . . 0.6 112.266 176.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.33 97.4 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.144 0.497 . . . . 0.39 110.251 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . 0.451 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -63.09 -37.55 87.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.339 -0.846 . . . . 0.46 111.142 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 46.7 t -75.52 -26.63 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.806 -0.634 . . . . 1.26 110.464 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -84.06 -12.65 54.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.64 111.196 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.05 147.11 52.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.215 -0.448 . . . . 0.85 110.873 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.97 -40.8 83.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 2.67 110.432 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.699 ' HB3' HG12 ' A' 1912 ' ' ILE . 47.1 t-20 -106.16 137.05 44.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.722 -0.672 . . . . 2.18 109.941 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.33 -38.23 90.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.294 -0.412 . . . . 2.24 109.904 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.8 -35.67 77.06 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.884 0.373 . . . . 2.49 110.629 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.699 HG12 ' HB3' ' A' 1909 ' ' ASN . 34.8 mm -66.43 -43.59 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.816 -0.629 . . . . 0.89 109.954 178.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -64.62 -46.62 89.5 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.753 -0.736 . . . . 0.51 111.885 176.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . 0.407 ' HA ' ' HE2' ' A' 1917 ' ' LYS . . . -55.8 -41.12 73.68 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.06 0.457 . . . . 0.46 110.352 176.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' 1919 ' ' ARG . 3.4 t-80 -59.76 -46.15 90.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.283 -0.871 . . . . 1.62 110.609 -178.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.535 HD11 ' HE1' ' A' 1850 ' ' PHE . 79.7 mt -59.29 -54.67 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.4 110.908 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' 1914 ' ' ALA . 48.1 mtmt -59.42 -47.34 85.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 1.36 110.872 -177.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 48.5 m170 -65.31 -34.46 78.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.521 -0.763 . . . . 1.91 111.792 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' 1915 ' ' HIS . 6.6 mmp_? -73.02 -31.73 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.035 -0.266 . . . . 2.55 110.78 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' 1916 ' ' ILE . 93.0 t -67.1 -32.18 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.092 0.472 . . . . 0.35 110.294 176.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.22 -22.57 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 1.22 110.977 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.515 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 6.5 mm-40 -57.45 -43.22 83.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.473 -0.566 . . . . 1.49 109.473 171.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.406 ' HB2' ' CE1' ' A' 1893 ' ' TYR . 52.3 mt -73.37 -26.85 61.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.648 -0.706 . . . . 0.67 109.714 173.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.5 -33.43 58.92 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.585 -0.817 . . . . 0.64 111.455 173.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -93.85 -39.21 10.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 0.69 110.55 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.0 -53.63 9.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.192 -0.528 . . . . 0.25 113.493 -176.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.664 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 22.3 t -62.26 -44.44 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.729 0.265 . . . . 1.22 110.37 -175.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 15.3 m -53.69 -51.29 63.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 1.03 110.63 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.49 98.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.689 -0.687 . . . . 0.28 111.096 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.63 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -63.54 -52.56 60.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.28 110.808 -178.483 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 28.2 m -66.87 -31.93 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.697 0.284 . . . . 0.26 110.864 -177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 97.2 m -65.73 -43.94 87.53 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.23 0.538 . . . . 0.8 110.113 174.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.613 ' HE3' HG23 ' A' 1946 ' ' THR . 26.2 tptt -62.71 -45.15 94.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.467 -0.788 . . . . 1.27 110.328 -178.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.64 84.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.859 -0.61 . . . . 0.3 111.233 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.53 -45.57 95.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.867 -0.683 . . . . 0.4 112.009 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.46 -28.96 59.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.5 110.889 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' 1947 ' ' LYS . 2.7 tm? -71.83 -35.0 69.77 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.052 -0.522 . . . . 0.41 109.666 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -74.2 -25.95 59.98 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.671 -0.412 . . . . 1.06 110.932 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 37.5 t -69.6 -30.55 68.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.055 0.455 . . . . 1.43 109.794 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 49.5 m -147.05 77.32 10.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.8 109.825 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.09 -3.41 8.45 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.142 2.562 . . . . 0.69 112.725 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 8.3 t -94.14 -5.58 46.85 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.696 -0.684 . . . . 1.54 110.555 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.16 102.38 11.05 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.959 -0.386 . . . . 1.16 109.959 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 12.2 m -68.08 -34.89 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.08 -0.509 . . . . 1.33 112.235 -175.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 73.4 t80 -64.72 -49.79 69.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.439 -0.346 . . . . 1.91 110.925 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.613 HG23 ' HE3' ' A' 1933 ' ' LYS . 47.3 m -65.15 -36.17 83.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.342 -0.39 . . . . 0.6 110.804 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.456 ' HB2' HD21 ' A' 1937 ' ' LEU . 38.1 ttpt -63.52 -42.37 98.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.002 -0.545 . . . . 1.2 110.155 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.34 -40.79 97.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 2.67 110.619 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.494 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 46.4 mt-10 -65.81 -31.57 72.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.449 -0.341 . . . . 1.53 111.177 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.1 -37.8 81.58 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.621 -0.511 . . . . 0.31 109.621 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.665 HG23 HG23 ' A' 1872 ' ' VAL . 86.1 mt -58.2 -43.5 85.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.06 -0.518 . . . . 0.35 109.706 174.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.609 ' O ' ' HG3' ' A' 1956 ' ' ARG . 20.6 mm-40 -61.76 -47.5 84.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.739 -0.664 . . . . 2.11 110.744 174.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.478 ' O ' HG23 ' A' 1957 ' ' VAL . 76.6 m -56.47 -44.16 80.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.671 0.272 . . . . 0.88 110.884 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.31 70.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.25 111.892 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' 1952 ' ' GLU . 11.7 ptm180 -62.63 -34.36 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.053 -0.259 . . . . 3.21 110.952 -178.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' 1952 ' ' GLU . 98.9 mtt180 -65.71 -47.06 76.66 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.465 -0.334 . . . . 3.16 110.384 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.824 ' HB ' HG21 ' A' 1868 ' ' VAL . 96.5 t -62.6 -44.05 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.3 110.421 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 41.6 m -55.76 -36.32 67.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.98 -0.555 . . . . 1.13 111.464 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' 1955 ' ' ARG . 41.5 mt-10 -74.83 -34.46 62.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.929 0.395 . . . . 1.86 111.102 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.515 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.8 mmtt -67.3 -34.68 77.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.454 -0.339 . . . . 0.65 110.703 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.859 HG11 ' HB2' ' A' 1865 ' ' ALA . 34.7 t -54.34 -48.65 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 O-C-N 123.34 0.4 . . . . 0.27 111.22 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 29.7 m -59.48 -36.07 75.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 1.3 110.968 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 77.9 m80 -72.93 -33.73 66.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 1.11 110.835 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' 1960 ' ' LYS . 58.9 t -68.01 -45.74 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.854 -0.425 . . . . 0.35 109.854 175.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' 1861 ' ' ALA . 65.9 mt -56.89 -46.52 81.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.714 -0.676 . . . . 0.35 111.245 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.61 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.4 111.863 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -62.31 -25.89 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.417 . . . . 0.46 111.214 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.657 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -74.69 -50.07 18.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.404 . . . . 0.5 111.204 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -70.81 -15.75 62.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.869 0.366 . . . . 1.7 110.82 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.039 -0.528 . . . . 0.93 110.298 175.494 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 121.005 0.431 . . . . 0.74 110.052 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.52 -31.0 67.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.027 -0.533 . . . . 0.87 110.121 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 74.6 m -59.65 -32.99 70.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.746 -0.661 . . . . 0.97 110.694 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.598 HG23 ' CE2' ' A' 1893 ' ' TYR . 58.6 mt -69.61 -44.71 79.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.986 0.422 . . . . 0.32 110.125 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 10.4 m -62.85 -40.17 96.63 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.93 -0.577 . . . . 0.61 110.64 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.41 -40.97 96.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 2.49 110.191 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -60.73 -32.0 71.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.78 . . . . 0.34 111.352 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . 0.495 ' HA ' HE22 ' A' 1921 ' ' GLN . 51.9 mt -65.56 -54.92 22.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.078 0.466 . . . . 0.49 110.155 175.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -61.6 -46.68 88.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.589 -0.732 . . . . 0.72 111.786 -175.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -56.93 -31.28 64.79 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.364 0.505 . . . . 1.0 112.364 -173.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.502 HD21 ' O ' ' A' 1897 ' ' ALA . 80.3 mt . . . . . 0 C--N 1.325 -0.499 0 N-CA-C 111.665 0.246 . . . . 0.79 111.665 -177.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . 0.599 ' HE1' HD11 ' A' 1916 ' ' ILE . 84.6 t80 . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.633 0.254 . . . . 0.68 110.728 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -59.15 -35.2 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.057 -0.52 . . . . 0.79 111.601 -177.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.57 -50.64 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.252 0.549 . . . . 1.71 110.872 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.7 -31.03 56.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.851 -0.613 . . . . 1.07 110.805 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.682 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 51.5 tt0 -56.75 -57.27 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.99 111.121 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' 1859 ' ' ARG . 14.9 t -62.98 -31.04 72.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 1.46 110.631 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 90.2 m -72.8 -43.96 62.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.286 -0.416 . . . . 0.42 111.394 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 81.4 mtp -71.34 -38.82 71.63 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.996 0.369 . . . . 0.71 111.996 -176.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.665 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.5 m -61.87 -31.41 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.519 -0.472 . . . . 0.29 110.77 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' 1855 ' ' THR . 68.7 mtt180 -70.34 -44.12 68.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.844 0.354 . . . . 3.02 110.457 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.599 ' HB ' HD21 ' A' 1896 ' ' LEU . 23.5 m -66.86 -33.17 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.303 -0.408 . . . . 0.35 110.921 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.5 ' O ' HG13 ' A' 1864 ' ' ILE . . . -61.78 -42.19 98.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.25 110.541 175.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.665 ' HG3' ' O ' ' A' 1858 ' ' VAL . 59.4 mttm -62.38 -31.94 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 1.31 110.414 176.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.51 72.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.763 -0.653 . . . . 0.41 111.249 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.768 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -75.77 -29.8 20.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.393 -0.523 . . . . 0.28 109.994 178.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.844 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.22 -44.49 68.47 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 116.269 -0.423 . . . . 0.2 111.614 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.8 p -64.64 -26.49 40.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.368 0.604 . . . . 0.73 110.087 177.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . . . . . . . . . 98.8 m -74.39 -49.95 20.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 0.25 111.159 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.795 HG21 ' HB ' ' A' 1957 ' ' VAL . 5.1 p -65.96 -32.65 59.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.827 0.346 . . . . 0.28 111.035 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.622 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -69.96 -27.91 65.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.217 0.532 . . . . 0.91 109.719 176.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.493 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.9 tp10 -78.09 -35.92 48.78 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.87 -0.418 . . . . 0.57 109.87 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' 1885 ' ' LEU . 48.5 mmm -60.85 -34.34 74.44 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.15 -0.477 . . . . 1.25 111.513 -178.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' 1869 ' ' GLN . 9.5 p -70.04 -34.75 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.483 0.659 . . . . 0.59 110.301 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 84.8 m -80.97 -42.52 21.11 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.617 -0.72 . . . . 0.44 110.98 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.774 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -70.67 -32.65 69.98 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 116.151 -0.477 . . . . 1.4 112.159 -175.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . 0.468 ' HA ' HD11 ' A' 1882 ' ' LEU . 10.1 p -62.39 -26.46 68.49 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.49 0.662 . . . . 1.11 110.58 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -82.57 -34.78 27.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.346 -0.843 . . . . 0.76 112.035 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 7.6 p -108.88 -35.95 6.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.253 0.834 . . . . 1.32 113.253 -170.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . . . . . . . . . 72.6 m -150.0 85.86 5.43 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.42 -0.355 . . . . 1.17 110.507 -171.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . 0.402 ' HG3' ' HB3' ' A' 1941 ' ' PRO . 26.6 Cg_endo -61.19 -29.43 86.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.574 2.182 . . . . 0.67 112.165 -177.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.22 -24.72 64.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.858 -0.61 . . . . 2.24 111.181 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.408 ' O ' ' HD2' ' A' 1884 ' ' PRO . 33.7 mm-40 -74.32 -17.07 60.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 1.89 111.388 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' 1875 ' ' SER . 92.5 mt -68.78 -23.68 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.101 -0.5 . . . . 0.34 111.219 -178.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.42 17.95 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.63 -0.795 . . . . 0.38 112.877 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' 1881 ' ' GLU . 36.3 Cg_exo -59.96 -33.44 95.64 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.522 2.148 . . . . 0.58 112.194 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . 0.416 ' HB2' ' SD ' ' A' 1871 ' ' MET . 76.2 mt -73.5 -46.12 49.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.266 -0.425 . . . . 0.37 110.95 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.39 -31.23 65.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.145 0.498 . . . . 0.36 109.679 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -70.32 -50.78 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.559 -0.746 . . . . 1.43 110.521 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -64.58 -42.48 95.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 1.07 110.548 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.448 HD12 ' HB ' ' A' 1864 ' ' ILE . 47.3 tp -56.34 -42.68 78.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.25 109.763 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 37.3 m -64.14 -49.15 73.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.413 -0.812 . . . . 0.28 111.153 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 17.3 t -65.24 -53.05 50.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.94 -0.573 . . . . 1.17 111.72 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.52 -35.16 79.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.8 111.208 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . 0.598 ' CE2' HG23 ' A' 1831 ' ' ILE . 58.0 t80 -63.77 -41.21 98.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.31 110.297 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -65.47 -30.6 77.92 Favored Glycine 0 CA--C 1.507 -0.452 0 N-CA-C 110.904 -0.878 . . . . 0.31 110.904 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' A' 1899 ' ' GLN . 6.7 ttp180 -72.14 -40.23 68.19 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.917 -0.642 . . . . 3.04 110.479 175.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.599 HD21 ' HB ' ' A' 1860 ' ' THR . 14.5 mt -63.85 -40.9 97.66 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.827 -0.349 . . . . 0.86 110.497 175.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . 0.502 ' O ' HD21 ' A' 1838 ' ' LEU . . . -63.34 -32.41 73.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.744 -0.662 . . . . 0.49 112.024 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 10.0 p -80.36 -44.5 19.35 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.939 -0.304 . . . . 1.38 110.835 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' 1895 ' ' ARG . 19.2 mt-30 -65.1 -24.12 67.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.464 -0.334 . . . . 1.56 111.722 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -65.74 -27.96 68.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.431 -0.35 . . . . 0.34 111.628 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.544 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 97.0 mttt -64.37 -59.7 10.26 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 116.644 -0.253 . . . . 2.27 111.33 -179.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 36.1 Cg_endo -66.4 -30.0 44.89 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.743 1.629 . . . . 0.6 112.153 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.17 97.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.014 0.435 . . . . 0.39 110.555 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.13 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.625 . . . . 0.46 111.006 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 49.0 t -75.55 -32.9 25.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 1.26 111.037 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -75.12 -10.32 59.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.64 111.084 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -76.13 141.67 41.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 0.85 110.379 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -78.81 -11.74 60.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.204 0.526 . . . . 2.67 110.735 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.658 ' HB2' HG12 ' A' 1912 ' ' ILE . 2.1 m-20 -122.35 140.92 52.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.508 . . . . 2.18 109.921 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -65.39 -39.31 92.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.757 -0.46 . . . . 2.24 109.757 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' 1911 ' ' GLU . 2.4 mp0 -59.02 -38.95 80.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 2.49 110.813 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.658 HG12 ' HB2' ' A' 1909 ' ' ASN . 42.3 mm -68.74 -44.42 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.015 -0.539 . . . . 0.89 110.281 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.07 -44.79 93.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.51 111.687 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -56.09 -44.02 78.62 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.224 0.535 . . . . 0.46 110.383 175.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' 1911 ' ' GLU . 3.1 t-80 -61.61 -42.44 98.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.087 -0.96 . . . . 1.62 110.528 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.599 HD11 ' HE1' ' A' 1850 ' ' PHE . 85.8 mt -62.27 -55.39 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.4 110.803 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.611 ' O ' ' HG2' ' A' 1921 ' ' GLN . 50.2 mtmt -59.47 -44.74 92.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 1.36 110.981 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . 0.518 ' HA ' ' CG ' ' A' 1921 ' ' GLN . 2.0 m-70 -75.19 -25.48 58.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.53 0.567 . . . . 1.91 112.53 -175.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.515 ' HA ' ' HD3' ' A' 1919 ' ' ARG . 51.9 mmt-85 -74.93 -28.77 60.73 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.367 -0.533 . . . . 2.55 110.787 174.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' 1916 ' ' ILE . 61.0 t -68.5 -34.0 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.556 -0.535 . . . . 0.35 109.556 173.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' A' 1917 ' ' LYS . 20.8 mm-40 -57.75 -32.03 67.06 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.773 -0.648 . . . . 1.22 110.575 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.597 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 18.0 mm-40 -59.98 -47.21 86.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.654 -0.703 . . . . 1.49 110.461 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . 0.691 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 16.5 mt -70.56 -27.85 64.45 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.285 -0.635 . . . . 0.67 109.285 176.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . 0.425 ' C ' HD11 ' A' 1835 ' ' ILE . . . -55.93 -34.29 61.48 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.867 -0.683 . . . . 0.64 112.133 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -89.67 -46.2 8.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.768 0.318 . . . . 0.69 110.466 176.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.06 -56.73 12.82 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.063 -0.589 . . . . 0.25 113.12 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 99.2 m -61.52 -36.27 80.07 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.669 0.388 . . . . 1.22 111.01 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 12.7 t -62.08 -49.73 74.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 1.03 110.019 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.53 86.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.28 110.741 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.721 HD11 HG23 ' A' 1868 ' ' VAL . 0.8 OUTLIER -62.2 -53.36 56.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.78 -0.646 . . . . 0.28 111.362 -179.268 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 18.9 m -66.38 -31.11 52.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.965 0.412 . . . . 0.26 110.644 -177.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 88.4 m -69.41 -41.28 76.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.009 -0.541 . . . . 0.8 110.574 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.537 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.5 tptt -71.84 -35.2 69.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.587 . . . . 1.27 110.829 -176.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -58.04 -37.14 73.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.3 111.5 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.46 98.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.8 -0.715 . . . . 0.4 111.848 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.32 -30.43 62.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.037 0.446 . . . . 0.5 110.605 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' 1947 ' ' LYS . 2.3 tm? -71.59 -37.34 71.0 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.021 -0.536 . . . . 0.41 109.74 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -70.99 -26.08 62.98 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.481 -0.488 . . . . 1.06 110.975 175.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 11.5 t -67.69 -32.27 72.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.204 -0.453 . . . . 1.43 109.822 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 73.9 m -150.77 81.63 6.34 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.8 110.095 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . 0.402 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 18.6 Cg_endo -61.07 -18.67 59.32 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.311 2.674 . . . . 0.69 112.855 -176.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 48.2 m -83.39 -12.94 55.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.002 -0.544 . . . . 1.54 111.753 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.4 108.76 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.104 0.478 . . . . 1.16 110.539 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 14.7 m -63.43 -38.54 82.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.615 -0.72 . . . . 1.33 111.99 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -69.9 -46.95 64.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.49 -0.323 . . . . 1.91 110.966 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . . . . . . . . . 35.7 m -60.22 -41.65 93.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 0.6 110.344 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.454 ' O ' HG13 ' A' 1951 ' ' ILE . 38.3 ttpt -63.78 -46.21 86.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.815 -0.63 . . . . 1.2 110.291 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . 0.586 ' O ' ' HG2' ' A' 1952 ' ' GLU . 54.6 tttm -56.15 -48.46 76.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.861 -0.609 . . . . 2.67 111.059 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.537 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 52.3 mt-10 -61.79 -35.26 77.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.369 . . . . 1.53 111.483 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . 0.417 ' HG ' HD23 ' A' 1930 ' ' LEU . 8.9 tt -68.49 -36.41 78.89 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.72 -0.474 . . . . 0.31 109.72 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.475 HG23 HG23 ' A' 1872 ' ' VAL . 85.6 mt -62.99 -41.38 92.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 0.35 110.03 174.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' 1948 ' ' LYS . 58.4 mm-40 -57.82 -46.73 84.29 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.541 -0.541 . . . . 2.11 109.541 174.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.521 ' O ' HG23 ' A' 1957 ' ' VAL . 69.8 m -58.94 -46.85 86.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.642 -0.708 . . . . 0.88 110.9 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -56.54 -46.04 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.25 111.536 -178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.504 ' O ' ' HG2' ' A' 1959 ' ' GLU . 64.4 mtt180 -60.88 -45.52 94.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.553 -0.294 . . . . 3.21 110.609 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.607 ' O ' ' HG2' ' A' 1960 ' ' LYS . 22.5 mtm180 -60.34 -41.47 93.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.36 -0.382 . . . . 3.16 111.062 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.795 ' HB ' HG21 ' A' 1868 ' ' VAL . 53.5 t -65.02 -47.2 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.901 0.381 . . . . 0.3 110.654 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 16.0 m -57.36 -35.66 70.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 1.13 111.003 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' 1955 ' ' ARG . 5.7 mm-40 -70.53 -29.34 65.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.28 0.562 . . . . 1.86 111.39 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.2 mmtt -76.31 -35.28 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.167 -0.469 . . . . 0.65 110.73 -178.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.844 HG11 ' HB2' ' A' 1865 ' ' ALA . 27.4 t -55.1 -45.85 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 O-C-N 123.224 0.327 . . . . 0.27 111.388 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 41.4 t -58.24 -36.42 73.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.979 0.419 . . . . 1.3 110.429 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 67.1 m80 -77.36 -26.98 52.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.471 . . . . 1.11 111.102 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' 1960 ' ' LYS . 57.7 t -73.13 -45.16 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.699 -0.482 . . . . 0.35 109.699 174.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.547 ' O ' ' HG2' ' A' 1969 ' ' GLN . 71.2 mt -59.76 -46.22 89.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.787 -0.642 . . . . 0.35 110.418 176.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.26 -24.75 65.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.4 111.469 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . 0.461 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -62.59 -41.24 98.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.376 . . . . 0.46 110.626 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.682 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -71.49 -38.02 71.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.07 -0.513 . . . . 0.5 110.814 177.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' 1965 ' ' LEU . 75.5 mm-40 -64.57 -19.19 65.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 1.7 111.107 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.93 111.358 -179.852 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 C--O 1.234 0.289 0 CA-C-O 121.343 0.592 . . . . 0.74 109.99 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.62 -38.65 84.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.87 109.649 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1830 ' ' SER . . . . . . . . . . . . . 18.9 m -57.81 -45.83 85.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.317 -0.856 . . . . 0.97 110.452 175.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.429 HG23 ' CE2' ' A' 1893 ' ' TYR . 61.5 mt -58.61 -43.89 88.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.651 -0.704 . . . . 0.32 110.613 177.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1832 ' ' THR . . . . . . . . . . . . . 29.3 m -61.87 -44.23 97.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 0.61 110.973 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -64.82 -37.73 88.6 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.837 0.351 . . . . 2.49 111.044 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1834 ' ' ALA . . . . . 0.475 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -62.44 -31.61 72.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.929 -0.578 . . . . 0.34 111.085 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1835 ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' 1831 ' ' ILE . 67.3 mt -66.3 -46.19 87.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.943 -0.572 . . . . 0.49 110.232 174.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -67.99 -42.52 80.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.659 -0.7 . . . . 0.72 112.196 -174.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1837 ' ' GLN . . . . . 0.433 HE21 ' HB1' ' A' 1897 ' ' ALA . 28.4 pt20 -58.52 -30.62 67.22 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.132 0.492 . . . . 1.0 111.623 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1838 ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 81.0 mt . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.237 -0.438 . . . . 0.79 111.333 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 80.3 t80 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 111.497 0.184 . . . . 0.68 111.497 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1851 ' ' VAL . . . . . 0.445 ' HA ' ' HB3' ' A' 1854 ' ' GLN . 10.0 p -56.28 -30.73 30.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.457 -0.338 . . . . 0.79 111.191 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.72 -40.89 98.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 1.71 110.623 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -76.15 -40.23 53.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.575 -0.528 . . . . 1.07 109.575 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1854 ' ' GLN . . . . . 0.642 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 47.6 tt0 -54.3 -51.79 63.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.134 -0.939 . . . . 0.99 111.289 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1855 ' ' THR . . . . . . . . . . . . . 4.9 p -61.29 -40.32 93.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 1.46 111.324 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1856 ' ' THR . . . . . . . . . . . . . 17.5 m -63.57 -37.69 88.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.064 0.459 . . . . 0.42 110.464 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1857 ' ' MET . . . . . . . . . . . . . 69.7 mtp -72.44 -51.1 21.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.71 111.871 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1858 ' ' VAL . . . . . 0.709 ' O ' ' HG3' ' A' 1862 ' ' LYS . 29.7 m -58.87 -39.26 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.727 -0.389 . . . . 0.29 111.179 -175.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1859 ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' 1859 ' ' ARG . 40.7 mtp180 -67.56 -37.11 82.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 3.02 110.922 178.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1860 ' ' THR . . . . . 0.591 ' HB ' HD21 ' A' 1896 ' ' LEU . 63.6 m -69.96 -35.5 74.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.978 0.418 . . . . 0.35 110.516 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1861 ' ' ALA . . . . . 0.574 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.07 -42.95 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.25 110.491 176.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1862 ' ' LYS . . . . . 0.709 ' HG3' ' O ' ' A' 1858 ' ' VAL . 80.5 mttt -67.22 -26.43 66.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.87 0.367 . . . . 1.31 110.295 176.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1863 ' ' ALA . . . . . 0.449 ' O ' HG12 ' A' 1866 ' ' VAL . . . -71.07 -42.25 69.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.41 110.886 178.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1864 ' ' ILE . . . . . 0.609 HD11 HG22 ' A' 1961 ' ' VAL . 1.6 pp -73.06 -27.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.703 -0.48 . . . . 0.28 109.703 176.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1865 ' ' ALA . . . . . 0.808 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.34 -40.99 81.4 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.97 -0.559 . . . . 0.2 111.493 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1866 ' ' VAL . . . . . 0.452 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 12.8 p -68.83 -27.49 35.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.354 -0.539 . . . . 0.73 110.121 178.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1867 ' ' THR . . . . . 0.56 ' O ' ' HG3' ' A' 1871 ' ' MET . 99.1 m -70.79 -51.93 23.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.25 110.791 174.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1868 ' ' VAL . . . . . 0.771 HG21 ' HB ' ' A' 1957 ' ' VAL . 7.3 p -63.79 -36.66 77.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.717 0.294 . . . . 0.28 111.024 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1869 ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -68.51 -26.2 65.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.291 0.567 . . . . 0.91 109.794 177.67 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1870 ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' 1869 ' ' GLN . 5.4 tp10 -77.17 -38.5 51.61 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.57 109.803 176.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1871 ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' 1867 ' ' THR . 81.8 mtp -64.71 -41.8 95.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 1.25 110.923 -177.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1872 ' ' VAL . . . . . 0.495 HG23 HG23 ' A' 1951 ' ' ILE . 11.3 p -63.65 -30.75 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 0.59 110.456 178.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1873 ' ' THR . . . . . . . . . . . . . 99.0 m -80.99 -55.19 4.95 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.143 -0.935 . . . . 0.44 111.258 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1874 ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 9.1 mmpt? -67.78 -28.13 67.35 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 113.068 0.766 . . . . 1.4 113.068 -172.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1875 ' ' SER . . . . . . . . . . . . . 7.2 p -57.9 -25.11 60.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.978 0.354 . . . . 1.11 111.777 -176.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -69.26 -54.15 16.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.053 -0.521 . . . . 0.76 111.623 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1877 ' ' THR . . . . . . . . . . . . . 1.9 p -100.99 -30.14 11.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.704 0.631 . . . . 1.32 112.704 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1878 ' ' SER . . . . . 0.488 ' HB2' ' HG2' ' A' 1881 ' ' GLU . 13.1 p -135.2 82.98 40.09 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.816 0.341 . . . . 1.17 111.13 -173.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.38 -23.67 37.8 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.549 2.166 . . . . 0.67 112.428 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.59 -23.19 61.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.325 -0.398 . . . . 2.24 111.337 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1881 ' ' GLU . . . . . 0.488 ' HG2' ' HB2' ' A' 1878 ' ' SER . 25.2 mm-40 -76.6 -10.45 59.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.961 0.41 . . . . 1.89 111.141 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1882 ' ' LEU . . . . . 0.441 HD12 HD12 ' A' 1937 ' ' LEU . 94.1 mt -69.27 -28.01 65.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 0.34 111.207 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1883 ' ' GLY . . . . . 0.405 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.68 -56.44 19.19 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.858 -0.687 . . . . 0.38 113.436 -177.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1884 ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' 1883 ' ' GLY . 19.3 Cg_endo -61.2 -32.32 90.58 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.258 1.972 . . . . 0.58 112.259 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.1 -41.79 63.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.373 -0.376 . . . . 0.37 110.913 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -59.52 -32.66 70.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.291 0.567 . . . . 0.36 109.737 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.08 -47.37 65.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.425 -0.807 . . . . 1.43 111.418 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -69.56 -42.66 74.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.567 -0.288 . . . . 1.07 110.905 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1889 ' ' LEU . . . . . 0.562 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 44.0 tp -54.48 -39.97 68.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 0.25 109.894 178.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1890 ' ' THR . . . . . . . . . . . . . 82.8 m -68.28 -49.09 62.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.541 -0.754 . . . . 0.28 111.731 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1891 ' ' SER . . . . . . . . . . . . . 72.9 p -67.14 -47.19 71.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.267 0.556 . . . . 1.17 111.29 -173.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -32.62 73.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.283 -0.871 . . . . 0.8 110.862 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1893 ' ' TYR . . . . . 0.429 ' CE2' HG23 ' A' 1831 ' ' ILE . 42.5 t80 -61.36 -42.44 98.71 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.98 0.419 . . . . 0.31 109.929 171.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.71 -29.37 61.29 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.613 -0.722 . . . . 0.31 112.351 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1895 ' ' ARG . . . . . 0.446 ' HB2' HG21 ' A' 1860 ' ' THR . 68.0 mtt180 -65.76 -48.73 70.87 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.398 0.618 . . . . 3.04 109.608 178.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1896 ' ' LEU . . . . . 0.591 HD21 ' HB ' ' A' 1860 ' ' THR . 40.6 mt -61.74 -38.84 89.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.618 -0.719 . . . . 0.86 110.754 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1897 ' ' ALA . . . . . 0.475 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -66.34 -26.12 67.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.752 -0.658 . . . . 0.49 111.942 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1898 ' ' SER . . . . . . . . . . . . . 7.6 p -91.92 -31.43 15.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.823 -0.351 . . . . 1.38 111.31 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -77.42 -30.16 53.35 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.805 0.298 . . . . 1.56 111.805 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.62 79.15 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.97 0.729 . . . . 0.34 112.97 -172.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1901 ' ' LYS . . . . . 0.645 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 56.4 mtpt -67.96 -53.59 19.66 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 120.865 -0.334 . . . . 2.27 111.725 -177.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1902 ' ' PRO . . . . . 0.645 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 45.0 Cg_exo -59.05 -34.65 99.01 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.975 1.784 . . . . 0.6 112.208 173.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.53 98.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.867 0.365 . . . . 0.39 110.695 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.15 84.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.638 . . . . 0.46 111.163 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 21.5 t -75.31 -29.55 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.974 -0.557 . . . . 1.26 110.759 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.25 -18.04 59.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.64 111.164 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -72.77 149.58 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.496 . . . . 0.85 110.69 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.45 -18.73 61.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.247 0.546 . . . . 2.67 110.803 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1909 ' ' ASN . . . . . 0.604 ' HB3' HG12 ' A' 1912 ' ' ILE . 44.9 t-20 -128.47 132.39 48.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.781 -0.645 . . . . 2.18 109.76 -174.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.54 -32.05 73.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.035 0.445 . . . . 2.24 110.281 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -65.78 -34.1 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.928 -0.578 . . . . 2.49 110.249 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1912 ' ' ILE . . . . . 0.604 HG12 ' HB3' ' A' 1909 ' ' ASN . 36.1 mm -66.33 -42.44 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.057 -0.52 . . . . 0.89 109.612 176.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.48 -44.88 97.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.902 -0.666 . . . . 0.51 111.902 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.74 94.47 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.308 0.575 . . . . 0.46 110.236 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1915 ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -59.78 -37.05 77.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.077 -0.965 . . . . 1.62 110.803 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1916 ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' 1912 ' ' ILE . 92.3 mt -67.78 -54.85 19.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.4 111.054 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1917 ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.6 ptpt -67.22 -31.56 72.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 1.36 111.811 -174.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 36.4 m170 -68.02 -31.81 71.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 1.91 110.663 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1919 ' ' ARG . . . . . 0.718 ' HB3' HG22 ' A' 1964 ' ' VAL . 17.8 mmm180 -70.44 -31.47 68.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.321 -0.399 . . . . 2.55 110.761 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 22.0 t -71.9 -31.42 40.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.4 -0.364 . . . . 0.35 110.106 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1921 ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.4 mm-40 -57.72 -36.76 72.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.301 0.572 . . . . 1.22 109.923 175.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1922 ' ' GLU . . . . . 0.55 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 17.7 mm-40 -59.68 -49.36 78.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.175 -0.92 . . . . 1.49 111.22 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 15.3 mt -66.8 -32.01 73.02 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 109.256 -0.646 . . . . 0.67 109.256 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.94 -52.39 35.23 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.303 -0.951 . . . . 0.64 111.44 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -72.16 -33.95 68.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.652 0.263 . . . . 0.69 110.82 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1926 ' ' GLY . . . . . 0.478 ' HA3' HG22 ' A' 1957 ' ' VAL . . . -73.11 -54.38 7.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.989 -0.624 . . . . 0.25 112.189 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1927 ' ' CYS . . . . . 0.562 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 14.1 t -55.03 -49.99 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.991 0.517 . . . . 1.22 110.635 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1928 ' ' SER . . . . . . . . . . . . . 47.3 m -51.63 -52.44 47.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.948 0.404 . . . . 1.03 110.648 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.32 96.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 0.28 111.07 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1930 ' ' LEU . . . . . 0.498 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.44 -52.98 62.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.939 -0.573 . . . . 0.28 110.892 -177.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 23.6 m -66.41 -36.01 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.68 0.276 . . . . 0.26 110.898 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1932 ' ' THR . . . . . . . . . . . . . 100.0 m -63.56 -46.51 85.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.137 0.494 . . . . 0.8 110.367 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1933 ' ' LYS . . . . . 0.46 ' HE3' HG23 ' A' 1946 ' ' THR . 37.1 tptt -67.09 -39.34 86.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.831 -0.622 . . . . 1.27 110.286 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.33 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.3 111.272 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.22 -44.08 97.59 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.681 -0.771 . . . . 0.4 111.879 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -78.0 -29.67 49.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.691 0.281 . . . . 0.5 111.36 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1937 ' ' LEU . . . . . 0.441 HD12 HD12 ' A' 1882 ' ' LEU . 3.2 tm? -69.07 -37.42 78.49 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 109.825 -0.435 . . . . 0.41 109.825 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -71.63 -24.81 61.94 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.909 0.385 . . . . 1.06 110.779 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.5 t -72.01 -29.7 64.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.277 -0.42 . . . . 1.43 109.949 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1940 ' ' SER . . . . . . . . . . . . . 15.4 m -136.66 65.33 54.01 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.8 110.399 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.83 -14.36 41.26 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.415 2.076 . . . . 0.69 112.723 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1942 ' ' SER . . . . . . . . . . . . . 74.3 m -84.39 -14.29 49.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.84 -0.618 . . . . 1.54 111.252 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.12 127.33 32.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.831 0.348 . . . . 1.16 110.124 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 35.1 t -79.55 -40.59 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.25 -0.432 . . . . 1.33 111.341 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1945 ' ' TYR . . . . . 0.405 ' O ' ' HG3' ' A' 1949 ' ' GLU . 35.0 t80 -64.89 -45.09 87.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.355 -0.384 . . . . 1.91 111.253 -173.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1946 ' ' THR . . . . . 0.46 HG23 ' HE3' ' A' 1933 ' ' LYS . 28.7 m -59.69 -41.7 91.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.062 0.458 . . . . 0.6 110.853 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1947 ' ' LYS . . . . . 0.408 ' HB2' HD21 ' A' 1937 ' ' LEU . 36.7 ttpt -68.57 -42.76 77.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 1.2 110.213 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 61.8 tttp -52.98 -44.06 66.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.471 -0.786 . . . . 2.67 110.65 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1949 ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' 1945 ' ' TYR . 42.9 mt-10 -66.48 -45.79 78.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.931 -0.577 . . . . 1.53 110.999 177.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.98 -42.99 99.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.465 -0.334 . . . . 0.31 111.209 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1951 ' ' ILE . . . . . 0.538 ' O ' ' HG3' ' A' 1955 ' ' ARG . 84.5 mt -56.08 -43.64 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.964 0.412 . . . . 0.35 110.075 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1952 ' ' GLU . . . . . 0.587 ' O ' ' HG3' ' A' 1956 ' ' ARG . 23.0 mm-40 -64.58 -43.17 94.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.959 -0.564 . . . . 2.11 110.866 177.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1953 ' ' CYS . . . . . 0.521 ' O ' HG23 ' A' 1957 ' ' VAL . 70.9 m -57.1 -45.35 83.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.88 110.557 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.45 98.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.25 111.163 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1955 ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' 1951 ' ' ILE . 79.7 mtp180 -57.7 -43.79 85.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 3.21 110.923 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1956 ' ' ARG . . . . . 0.623 ' O ' ' HG2' ' A' 1960 ' ' LYS . 69.2 mtp180 -66.48 -42.17 87.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 3.16 111.033 -177.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1957 ' ' VAL . . . . . 0.771 ' HB ' HG21 ' A' 1868 ' ' VAL . 57.4 t -61.39 -40.5 86.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.779 0.323 . . . . 0.3 110.352 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1958 ' ' SER . . . . . . . . . . . . . 19.2 m -59.07 -38.48 79.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 1.13 110.776 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1959 ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' 1955 ' ' ARG . 74.9 mt-10 -67.82 -37.96 82.64 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.24 0.543 . . . . 1.86 110.449 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1960 ' ' LYS . . . . . 0.643 ' O ' HG23 ' A' 1964 ' ' VAL . 74.4 mmtt -62.15 -41.79 98.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.716 -0.674 . . . . 0.65 110.792 -178.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1961 ' ' VAL . . . . . 0.808 HG11 ' HB2' ' A' 1865 ' ' ALA . 46.8 t -53.17 -48.8 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 123.734 0.646 . . . . 0.27 111.639 -176.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1962 ' ' SER . . . . . . . . . . . . . 16.8 t -59.91 -36.32 76.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 1.3 110.482 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1963 ' ' HIS . . . . . 0.45 ' HB2' ' NH2' ' A' 1919 ' ' ARG . 35.7 m170 -76.25 -26.46 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.508 -0.314 . . . . 1.11 110.849 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1964 ' ' VAL . . . . . 0.718 HG22 ' HB3' ' A' 1919 ' ' ARG . 48.7 t -72.14 -45.14 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.666 -0.494 . . . . 0.35 109.666 174.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1965 ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' A' 1969 ' ' GLN . 73.9 mt -57.71 -47.7 81.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 0.35 110.531 176.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.49 70.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.71 -0.677 . . . . 0.4 111.503 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1967 ' ' ALA . . . . . 0.647 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -62.55 -44.59 95.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.509 -0.314 . . . . 0.46 110.63 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1968 ' ' LEU . . . . . 0.642 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -64.92 -40.11 94.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.051 -0.522 . . . . 0.5 110.248 176.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1969 ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' 1965 ' ' LEU . 31.3 mm-40 -60.62 -28.5 68.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 1.7 111.1 -178.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.93 111.327 -178.786 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.802 0 N-CA-C 111.62 -0.592 . . . . 21.55 111.62 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . 0.493 HD13 ' H ' ' A' 1810 ' ' ILE . 0.2 OUTLIER -73.7 -28.8 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 117.034 0.417 . . . . 20.33 110.311 176.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 68.4 m-20 55.8 83.26 0.23 Allowed Pre-proline 0 N--CA 1.464 0.255 0 CA-C-N 115.411 -0.813 . . . . 19.2 112.024 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -86.76 148.78 8.47 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.056 2.504 . . . . 18.2 111.365 175.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -109.27 98.78 8.14 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.01 0.433 . . . . 20.33 110.148 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 4.7 m -76.98 90.58 3.57 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.728 -0.669 . . . . 16.69 110.183 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 65.1 t30 -92.5 68.0 4.79 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.284 0.564 . . . . 16.15 109.646 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -90.76 136.67 32.92 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.604 -0.725 . . . . 14.41 110.039 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . 66.42 -80.32 0.03 OUTLIER 'General case' 0 C--O 1.233 0.229 0 O-C-N 123.907 0.754 . . . . 12.08 111.198 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -173.47 160.11 3.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.467 -0.333 . . . . 10.45 110.281 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 7.7 m -72.08 -42.29 66.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.516 0.674 . . . . 8.54 109.221 173.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -149.76 -48.33 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.025 -0.989 . . . . 6.8 109.618 174.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -130.05 138.58 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.731 -0.668 . . . . 4.72 109.845 176.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -74.03 -32.99 57.98 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.986 -0.626 . . . . 3.52 111.951 -178.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 35.7 m -84.23 -170.84 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.619 0.247 . . . . 2.13 110.46 176.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.677 HG13 ' HE2' ' A' 1827 ' ' MET . 55.2 t -74.37 99.83 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.666 0.746 . . . . 1.83 110.934 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -146.94 157.67 27.49 Favored Glycine 0 N--CA 1.439 -1.103 0 CA-C-N 114.535 -1.211 . . . . 2.1 110.795 175.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 91.68 -62.27 2.68 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.887 -0.673 . . . . 0.91 111.964 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.677 ' HE2' HG13 ' A' 1824 ' ' VAL . 25.7 ptt? -69.99 -13.67 62.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.852 0.358 . . . . 1.1 111.319 -178.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.1 p -66.73 -31.55 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.343 0.592 . . . . 0.74 109.553 174.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -68.73 -30.53 69.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.434 -0.803 . . . . 0.87 109.96 176.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 45.9 m -63.88 -36.91 85.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.578 -0.737 . . . . 0.97 110.876 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' 1835 ' ' ILE . 65.0 mt -66.96 -44.51 88.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.027 0.441 . . . . 0.32 110.228 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 31.7 m -61.91 -35.21 77.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.272 0.558 . . . . 0.61 110.416 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -66.08 -41.64 90.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.842 -0.617 . . . . 2.49 110.232 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' A' 1837 ' ' GLN . . . -62.0 -34.12 75.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.989 -0.551 . . . . 0.34 111.05 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . 0.51 ' HA ' HE22 ' A' 1921 ' ' GLN . 62.0 mt -64.96 -48.34 84.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.121 -0.49 . . . . 0.49 110.423 175.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -66.65 -40.38 88.66 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.72 111.832 -177.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.2 pt20 -62.5 -34.08 76.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.754 0.311 . . . . 1.0 110.996 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 98.1 mt -76.34 -35.14 58.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.66 0.266 . . . . 0.79 110.759 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -57.03 -29.45 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.984 -0.553 . . . . 1.79 110.337 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.22 -57.65 8.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.363 -0.835 . . . . 3.25 110.777 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 156.71 -172.02 34.33 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.43 -0.89 . . . . 1.73 112.692 179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . 0.721 ' HB2' ' HB ' ' A' 1905 ' ' VAL . 5.7 Cg_exo -80.28 157.53 22.86 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.464 2.776 . . . . 2.43 112.492 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . 0.661 ' H ' ' HB3' ' A' 1901 ' ' LYS . 15.4 tpt -75.76 -62.68 1.51 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.205 -0.452 . . . . 5.03 110.585 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . 0.565 ' HA2' HG21 ' A' 1905 ' ' VAL . . . 114.27 174.5 18.56 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.608 -0.806 . . . . 1.86 111.952 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 38.8 t70 53.39 71.53 1.38 Allowed Pre-proline 0 C--N 1.328 -0.336 0 C-N-CA 122.934 0.494 . . . . 3.08 111.14 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 4.0 Cg_exo -76.43 137.69 18.91 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.43 2.086 . . . . 1.21 111.816 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -78.04 -16.86 57.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.199 -0.455 . . . . 2.82 110.786 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -147.29 -169.88 15.07 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 111.325 -0.71 . . . . 1.14 111.325 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . 0.436 ' HB2' HG12 ' A' 1851 ' ' VAL . 15.0 m -79.43 170.5 16.51 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.609 -0.515 . . . . 1.64 109.609 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' 1916 ' ' ILE . 57.2 t80 -54.99 -38.93 68.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.68 110.595 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . 0.653 ' HB ' ' HA ' ' A' 1973 ' ' ARG . 7.5 p -58.02 -33.45 46.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.068 -0.515 . . . . 0.79 112.07 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -69.25 -44.39 72.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.031 0.443 . . . . 1.71 110.514 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 80.2 m-85 -73.42 -33.4 64.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.106 -0.497 . . . . 1.07 110.555 177.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.735 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 30.8 tt0 -55.03 -57.23 12.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 0.99 110.505 173.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.53 ' O ' ' HG3' ' A' 1859 ' ' ARG . 10.5 p -62.98 -30.33 71.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.484 -0.78 . . . . 1.46 111.457 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 44.1 m -69.37 -49.1 58.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.739 0.304 . . . . 0.42 110.675 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.409 ' SD ' ' HA ' ' A' 1900 ' ' ALA . 67.9 mtp -65.13 -41.94 94.36 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.132 0.419 . . . . 0.71 112.132 -176.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.694 ' O ' ' HG3' ' A' 1862 ' ' LYS . 29.1 m -61.89 -32.7 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.456 -0.498 . . . . 0.29 110.809 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' 1855 ' ' THR . 96.4 mtt180 -66.98 -46.76 73.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.712 0.292 . . . . 3.02 110.503 178.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.487 ' HB ' HD21 ' A' 1896 ' ' LEU . 2.6 m -68.1 -31.92 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.374 -0.376 . . . . 0.35 110.79 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.548 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.97 -45.33 89.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.25 110.525 176.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' A' 1858 ' ' VAL . 84.1 mttt -63.75 -28.25 69.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.107 0.48 . . . . 1.31 110.183 176.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . 0.417 ' O ' HG12 ' A' 1866 ' ' VAL . . . -72.45 -38.3 68.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.41 111.37 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.739 HD11 HG22 ' A' 1961 ' ' VAL . 1.7 pp -76.96 -26.47 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.374 -0.53 . . . . 0.28 109.767 177.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.632 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -66.65 -38.86 87.74 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.809 -0.632 . . . . 0.2 111.395 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' 1863 ' ' ALA . 13.0 p -71.54 -30.46 38.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.694 -0.403 . . . . 0.73 110.254 178.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.562 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.7 m -67.27 -53.53 29.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.327 -0.397 . . . . 0.25 110.744 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.727 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.8 p -62.05 -37.21 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 0.28 111.157 -178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.418 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -68.97 -26.1 64.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.292 0.568 . . . . 0.91 109.838 179.156 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.6 tp10 -77.28 -38.4 50.86 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 109.696 -0.483 . . . . 0.57 109.696 176.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' 1867 ' ' THR . 83.0 mtp -64.16 -42.22 96.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.33 -0.396 . . . . 1.25 111.117 -177.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' 1869 ' ' GLN . 11.6 p -62.54 -31.34 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.459 0.647 . . . . 0.59 110.57 178.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 98.1 m -81.09 -51.15 8.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.238 -0.892 . . . . 0.44 111.083 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.467 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 6.0 mmpt? -63.48 -25.96 68.5 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 112.538 0.57 . . . . 1.4 112.538 -175.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 33.5 p -61.43 -24.51 66.59 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.152 0.501 . . . . 1.11 111.307 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -80.5 -32.18 37.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.9 -0.591 . . . . 0.76 111.685 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 16.5 p -109.3 -45.73 3.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.281 0.562 . . . . 1.32 112.466 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 60.5 m -131.66 88.83 41.56 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.702 -0.681 . . . . 1.17 110.874 -168.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.99 -21.57 32.22 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.555 2.17 . . . . 0.67 112.842 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' A' 1880 ' ' GLU . 0.5 OUTLIER -86.01 -14.98 42.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.326 . . . . 2.24 110.86 -178.155 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -80.88 -9.95 59.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.918 0.39 . . . . 1.89 110.712 175.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.472 HD12 HD12 ' A' 1937 ' ' LEU . 98.4 mt -69.04 -33.74 74.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.258 -0.428 . . . . 0.34 111.22 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.17 -55.4 28.1 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.102 -0.57 . . . . 0.38 113.437 -178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' 1883 ' ' GLY . 16.8 Cg_endo -60.2 -30.85 92.17 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.329 2.019 . . . . 0.58 112.613 177.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 93.9 mt -75.98 -41.37 51.5 Favored 'General case' 0 CA--C 1.514 -0.439 0 C-N-CA 121.183 -0.207 . . . . 0.37 110.553 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . 0.52 ' HB3' HG21 ' A' 1824 ' ' VAL . . . -58.63 -35.75 72.98 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.59 -0.522 . . . . 0.36 109.59 173.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -65.9 -40.66 91.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.557 -0.747 . . . . 1.43 110.087 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -68.36 -44.12 75.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.264 -0.88 . . . . 1.07 110.862 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.576 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 33.7 tp -60.75 -40.26 91.8 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.437 -0.579 . . . . 0.25 109.437 176.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . 0.43 HG21 ' HB2' ' A' 1827 ' ' MET . 55.8 m -65.33 -45.69 83.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.424 -0.807 . . . . 0.28 111.669 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 68.7 p -70.46 -50.87 33.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 1.17 111.528 -175.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.449 ' HB3' HG22 ' A' 1864 ' ' ILE . 21.9 m-20 -58.02 -41.14 82.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.189 -0.459 . . . . 0.8 111.266 177.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 70.6 t80 -63.28 -41.27 98.98 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.858 -0.337 . . . . 0.31 110.437 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.95 -39.31 88.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.96 -0.638 . . . . 0.31 111.847 177.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 76.9 mtm-85 -67.86 -43.48 79.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.411 0.148 . . . . 3.04 110.795 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.487 HD21 ' HB ' ' A' 1860 ' ' THR . 8.9 mt -60.25 -41.26 92.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.672 0.272 . . . . 0.86 111.263 176.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -64.35 -25.85 68.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.244 -0.435 . . . . 0.49 111.096 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 32.9 t -81.75 -36.1 28.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.121 -0.49 . . . . 1.38 110.071 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.401 ' O ' ' HD2' ' A' 1902 ' ' PRO . 19.6 mt-30 -77.51 -24.89 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.713 -0.676 . . . . 1.56 111.727 -178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . 0.409 ' HA ' ' SD ' ' A' 1857 ' ' MET . . . -65.3 -36.22 83.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.264 -0.425 . . . . 0.34 112.119 -177.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.687 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 85.4 mttt -62.97 -53.99 50.59 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 112.1 0.408 . . . . 2.27 112.1 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.687 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 34.8 Cg_exo -61.07 -29.74 88.05 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.155 1.903 . . . . 0.6 112.302 176.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -69.05 -47.37 65.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.821 0.343 . . . . 0.39 110.634 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -60.96 -40.86 94.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.46 111.446 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.721 ' HB ' ' HB2' ' A' 1842 ' ' PRO . 8.2 p -76.01 -25.2 16.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.395 . . . . 1.26 111.696 -178.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.63 -13.51 60.05 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.237 0.541 . . . . 0.64 110.687 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -76.57 143.63 40.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.565 -0.743 . . . . 0.85 110.44 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . 0.533 ' CD ' ' HB2' ' A' 1972 ' ' ASN . 0.0 OUTLIER -90.02 7.69 36.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.786 -0.643 . . . . 2.67 110.552 -177.237 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.481 ' HB3' HG12 ' A' 1912 ' ' ILE . 50.0 t-20 -143.35 129.01 19.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.729 -0.669 . . . . 2.18 109.544 -176.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.3 -41.27 96.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.318 -0.401 . . . . 2.24 110.121 -178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.618 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.0 OUTLIER -61.5 -25.1 67.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.41 -0.359 . . . . 2.49 111.464 179.711 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.481 HG12 ' HB3' ' A' 1909 ' ' ASN . 46.5 mm -80.15 -47.23 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.58 0.228 . . . . 0.89 110.504 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.57 -40.94 96.32 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.555 -0.831 . . . . 0.51 111.71 178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . 0.5 ' HA ' ' CD ' ' A' 1917 ' ' LYS . . . -65.58 -26.13 67.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.228 0.537 . . . . 0.46 110.58 175.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.618 ' HB2' ' O ' ' A' 1911 ' ' GLU . 2.1 t-80 -71.96 -39.22 69.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.796 -0.638 . . . . 1.62 109.814 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' 1850 ' ' PHE . 88.8 mt -68.14 -55.03 17.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.627 -0.715 . . . . 0.4 111.083 178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.621 ' O ' ' HG2' ' A' 1921 ' ' GLN . 19.2 ptmt -58.14 -38.58 76.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.669 -0.696 . . . . 1.36 111.334 -174.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' 1922 ' ' GLU . 20.9 t-80 -70.36 -28.57 65.22 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.611 -0.268 . . . . 1.91 110.772 -177.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.662 ' HB3' HG22 ' A' 1964 ' ' VAL . 52.2 mmt-85 -74.65 -33.13 62.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.847 0.356 . . . . 2.55 110.461 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 13.9 t -71.22 -27.16 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.319 -0.623 . . . . 0.35 109.319 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.621 ' HG2' ' O ' ' A' 1917 ' ' LYS . 24.9 mm-40 -65.56 -42.46 91.83 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.947 -0.57 . . . . 1.22 109.465 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' 1918 ' ' HIS . 39.3 mm-40 -52.51 -50.56 62.54 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 115.749 -0.66 . . . . 1.49 109.686 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' 1923 ' ' LEU . 16.9 mt -61.98 -40.69 96.48 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.135 -0.939 . . . . 0.67 111.111 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . 0.404 ' C ' HD11 ' A' 1835 ' ' ILE . . . -55.46 -49.48 64.44 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 121.015 -0.612 . . . . 0.64 112.314 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -63.78 -40.21 96.13 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.857 0.36 . . . . 0.69 110.66 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.29 -51.48 13.2 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.806 -0.711 . . . . 0.25 112.107 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.576 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 35.0 t -53.87 -49.04 69.37 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.857 0.463 . . . . 1.22 110.628 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 13.8 t -55.62 -46.89 77.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.52 -0.764 . . . . 1.03 110.707 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.5 -41.17 89.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.876 -0.602 . . . . 0.28 110.97 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.583 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -62.93 -47.84 81.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.476 -0.329 . . . . 0.28 110.603 -177.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.58 ' HB ' HG11 ' A' 1824 ' ' VAL . 23.7 m -68.99 -35.67 70.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 120.732 -0.387 . . . . 0.26 111.663 -175.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 15.1 t -72.66 -30.34 64.19 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.421 -0.511 . . . . 0.8 110.38 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -69.82 -41.35 75.09 Favored 'General case' 0 C--O 1.225 -0.189 0 N-CA-C 110.297 -0.26 . . . . 1.27 110.297 174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.28 91.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.46 -0.336 . . . . 0.3 110.57 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.73 -52.08 55.12 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.702 -0.761 . . . . 0.4 111.668 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -67.09 -26.75 66.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.715 0.293 . . . . 0.5 111.601 -179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.472 HD12 HD12 ' A' 1882 ' ' LEU . 2.8 tm? -74.32 -37.31 63.63 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 109.823 -0.436 . . . . 0.41 109.823 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -69.4 -26.13 64.49 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.97 0.414 . . . . 1.06 111.108 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 72.7 m -67.74 -30.58 70.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.985 -0.552 . . . . 1.43 110.523 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.1 m -150.25 78.35 7.9 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.207 -0.451 . . . . 0.8 110.036 178.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.98 -15.52 27.93 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.384 2.723 . . . . 0.69 112.593 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 47.6 t -82.85 -20.82 34.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.524 -0.762 . . . . 1.54 111.506 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 24.5 t70 -73.76 108.67 6.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.131 0.491 . . . . 1.16 110.858 -174.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 13.0 m -65.79 -35.87 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.662 -0.699 . . . . 1.33 112.133 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.447 ' O ' ' HG3' ' A' 1949 ' ' GLU . 48.9 t80 -63.08 -48.45 78.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.734 -0.212 . . . . 1.91 111.117 -178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 57.3 m -59.19 -42.47 90.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.02 0.438 . . . . 0.6 110.621 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.449 ' O ' HG13 ' A' 1951 ' ' ILE . 38.7 ttpt -64.09 -40.14 95.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.851 -0.613 . . . . 1.2 110.324 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.77 -42.55 97.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.963 -0.562 . . . . 2.67 110.824 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 1945 ' ' TYR . 45.0 mt-10 -61.76 -39.91 93.31 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-N 116.338 -0.392 . . . . 1.53 110.218 177.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 7.4 tt -62.64 -41.74 99.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.41 . . . . 0.31 110.527 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' 1947 ' ' LYS . 83.9 mt -60.86 -42.63 93.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.926 -0.398 . . . . 0.35 109.926 176.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.519 ' O ' ' HG3' ' A' 1956 ' ' ARG . 62.8 mm-40 -60.51 -49.61 76.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.17 -0.468 . . . . 2.11 110.231 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.585 ' O ' HG23 ' A' 1957 ' ' VAL . 72.3 m -57.27 -46.38 83.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.919 -0.582 . . . . 0.88 111.047 178.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -58.47 -45.01 89.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.979 0.418 . . . . 0.25 111.028 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' 1959 ' ' GLU . 99.5 mtt180 -59.22 -47.63 84.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.045 -0.525 . . . . 3.21 110.397 178.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' 1952 ' ' GLU . 95.9 mtt180 -58.35 -42.22 86.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 3.16 111.026 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.727 ' HB ' HG21 ' A' 1868 ' ' VAL . 62.0 t -63.07 -53.79 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.3 110.57 178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.1 t -58.33 -37.91 76.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.987 -0.551 . . . . 1.13 110.915 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' 1955 ' ' ARG . 50.3 mt-10 -62.68 -45.16 94.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.165 0.507 . . . . 1.86 110.783 177.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.558 ' O ' HG23 ' A' 1964 ' ' VAL . 31.6 mmtp -69.59 -27.31 64.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.062 -0.517 . . . . 0.65 111.86 -175.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.739 HG22 HD11 ' A' 1864 ' ' ILE . 42.4 t -54.23 -44.13 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-O 120.893 0.378 . . . . 0.27 110.229 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 35.3 t -61.1 -39.47 90.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.742 -0.663 . . . . 1.3 110.495 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.412 ' HD2' ' HA ' ' A' 1960 ' ' LYS . 94.3 m-70 -66.8 -38.3 86.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 1.11 110.292 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.662 HG22 ' HB3' ' A' 1919 ' ' ARG . 48.5 t -63.84 -52.58 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.35 110.191 177.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 86.6 mt -54.34 -48.82 70.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.732 -0.667 . . . . 0.35 111.382 -179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.47 -24.38 67.6 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.143 0.424 . . . . 0.4 112.143 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -70.26 -25.2 63.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.694 0.283 . . . . 0.46 111.366 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.735 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.1 mm? -73.67 -43.35 59.63 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.853 0.686 . . . . 0.5 112.853 -174.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -65.85 -14.75 62.04 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.458 0.54 . . . . 1.7 112.458 -172.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -77.7 -7.15 56.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.711 0.291 . . . . 0.93 111.495 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -99.01 -173.27 31.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.916 -0.659 . . . . 2.0 113.403 -176.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . 0.553 HD22 ' C ' ' A' 1972 ' ' ASN . 0.2 OUTLIER -68.44 111.43 4.67 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.102 0.561 . . . . 5.01 111.562 -177.217 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . 0.653 ' HA ' ' HB ' ' A' 1851 ' ' VAL . 54.8 mtp180 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.373 -0.822 . . . . 7.5 109.259 170.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.539 -0.624 . . . . 21.55 111.539 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 2.5 pp -85.25 -12.06 11.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.834 0.317 . . . . 20.33 111.67 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 26.4 t70 -134.86 97.92 13.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.34 -0.391 . . . . 19.2 110.388 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -86.12 107.53 0.87 Allowed 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.21 2.607 . . . . 18.2 112.062 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 38.5 p90 -78.35 -23.75 46.79 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.727 -0.472 . . . . 20.33 109.727 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 27.7 m -74.86 112.97 11.62 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.851 -0.613 . . . . 16.69 109.837 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 39.2 p-10 -62.85 -31.19 72.16 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.96 -0.564 . . . . 16.15 111.811 -174.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -80.48 -11.05 59.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.379 -0.373 . . . . 14.41 111.55 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -90.12 -17.39 27.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.927 0.394 . . . . 12.08 110.856 -177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -89.37 167.44 13.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.011 -0.541 . . . . 10.45 110.63 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 39.0 m -114.89 60.08 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.374 -0.376 . . . . 8.54 110.112 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 61.7 -170.11 0.17 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.876 -0.602 . . . . 6.8 111.277 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -135.47 5.46 3.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.931 0.396 . . . . 4.72 110.519 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 86.44 -37.01 3.16 Favored Glycine 0 N--CA 1.451 -0.347 0 N-CA-C 111.672 -0.571 . . . . 3.52 111.672 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' 1824 ' ' VAL . 7.2 p -147.75 132.61 10.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.0 -0.37 . . . . 2.13 110.0 178.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.907 HG23 ' HE2' ' A' 1827 ' ' MET . 1.7 p 55.08 17.33 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.909 0.884 . . . . 1.83 113.133 173.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -61.47 -58.12 14.77 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 121.373 -0.441 . . . . 2.1 113.587 -174.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -74.03 -25.39 71.47 Favored Glycine 0 CA--C 1.506 -0.506 0 C-N-CA 120.709 -0.758 . . . . 0.91 111.218 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.907 ' HE2' HG23 ' A' 1824 ' ' VAL . 50.1 mtp -67.14 -47.45 71.03 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.69 -0.755 . . . . 1.1 110.944 -178.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.3 p -66.9 -27.27 39.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.117 0.484 . . . . 0.74 110.143 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 8.7 t70 -66.8 -47.96 70.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.814 -0.63 . . . . 0.87 110.337 174.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.8 m -54.94 -41.26 70.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.935 -0.575 . . . . 0.97 110.627 176.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.428 ' O ' HG13 ' A' 1835 ' ' ILE . 71.6 mt -63.05 -48.29 88.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.867 -0.606 . . . . 0.32 110.425 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 63.2 m -61.1 -44.62 97.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.803 -0.635 . . . . 0.61 111.624 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -67.37 -34.31 77.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.949 0.404 . . . . 2.49 110.518 -178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -64.62 -27.94 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.973 -0.558 . . . . 0.34 110.953 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . 0.446 ' HA ' HE22 ' A' 1921 ' ' GLN . 72.5 mt -70.84 -47.64 61.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.997 -0.547 . . . . 0.49 110.317 175.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -55.92 -51.56 67.2 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.808 -0.633 . . . . 0.72 112.064 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -55.86 -35.98 67.07 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 112.411 0.523 . . . . 1.0 112.411 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.473 ' HB2' ' NE2' ' A' 1921 ' ' GLN . 94.5 mt -74.59 -31.59 62.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.728 0.299 . . . . 0.79 111.329 -175.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -74.8 -31.22 61.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.576 -0.527 . . . . 1.79 109.576 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -63.82 -41.36 97.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.543 -0.753 . . . . 3.25 110.451 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 142.45 -174.12 23.54 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.507 -0.854 . . . . 1.73 112.835 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -82.28 -168.11 0.56 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.776 2.318 . . . . 2.43 112.01 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 51.1 ttm -115.18 -69.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.846 0.355 . . . . 5.03 110.08 177.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . 0.563 ' HA2' HG11 ' A' 1905 ' ' VAL . . . 125.05 161.84 11.17 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.758 -0.734 . . . . 1.86 111.75 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 31.5 t70 56.52 75.41 0.58 Allowed Pre-proline 0 C--N 1.326 -0.416 0 CA-C-O 121.381 0.61 . . . . 3.08 110.823 -176.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -74.01 149.8 42.31 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.213 1.942 . . . . 1.21 111.651 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -64.99 -37.76 88.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.269 0.557 . . . . 2.82 110.419 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -128.15 -148.84 6.88 Favored Glycine 0 N--CA 1.444 -0.797 0 N-CA-C 111.291 -0.724 . . . . 1.14 111.291 177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 17.7 m -98.22 -178.71 4.13 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.622 -0.51 . . . . 1.64 109.622 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 78.3 t80 -60.15 -41.28 92.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.556 -0.293 . . . . 0.68 110.568 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 10.6 p -59.14 -33.72 51.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.464 -0.334 . . . . 0.79 111.288 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.16 -46.88 75.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.199 0.523 . . . . 1.71 110.4 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -73.68 -36.65 65.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.98 -0.555 . . . . 1.07 110.879 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.658 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 31.8 tt0 -54.78 -55.41 30.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.334 -0.393 . . . . 0.99 110.67 176.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 13.2 p -61.57 -39.12 90.01 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.051 -0.522 . . . . 1.46 111.232 -177.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 28.2 m -69.57 -34.26 73.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.029 0.442 . . . . 0.42 110.696 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 82.5 mtp -75.2 -47.32 28.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.639 -0.255 . . . . 0.71 111.425 179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -62.53 -36.91 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.47 -0.492 . . . . 0.29 110.788 -178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -63.28 -48.15 79.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.765 0.317 . . . . 3.02 110.815 176.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.472 ' O ' HG23 ' A' 1864 ' ' ILE . 44.8 m -67.05 -38.16 85.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.959 -0.564 . . . . 0.35 111.062 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.577 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.37 -48.52 77.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.664 0.268 . . . . 0.25 110.643 178.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' 1858 ' ' VAL . 55.4 mtmt -62.11 -26.06 68.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.729 0.299 . . . . 1.31 111.017 175.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -73.67 -46.03 49.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.568 -0.287 . . . . 0.41 110.904 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.683 HD11 HG22 ' A' 1961 ' ' VAL . 1.6 pp -68.81 -25.56 30.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.132 0 CA-C-O 120.836 0.35 . . . . 0.28 110.084 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.669 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -64.09 -37.06 86.09 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 115.978 -0.556 . . . . 0.2 110.621 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 59.2 t -65.86 -37.43 79.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.151 0.501 . . . . 0.73 109.852 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 60.6 m -64.01 -46.15 85.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.953 -0.567 . . . . 0.25 111.075 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.865 HG21 ' HB ' ' A' 1957 ' ' VAL . 7.1 p -74.12 -29.78 25.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.723 0.297 . . . . 0.28 111.224 -178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -73.25 -26.71 61.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.331 0.586 . . . . 0.91 109.445 176.402 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.1 tp10 -76.46 -33.13 58.72 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.436 -0.579 . . . . 0.57 109.436 175.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.532 ' SD ' HD22 ' A' 1882 ' ' LEU . 3.7 mmt -53.52 -56.04 20.36 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.206 -0.452 . . . . 1.25 111.448 176.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.656 HG23 HG23 ' A' 1951 ' ' ILE . 11.1 p -60.15 -34.95 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.502 0.667 . . . . 0.59 110.968 -178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 53.9 m -75.09 -48.38 24.11 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.18 -0.918 . . . . 0.44 111.095 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.867 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -70.58 -28.1 64.62 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 116.351 -0.386 . . . . 1.4 111.662 -177.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.408 ' HA ' HD11 ' A' 1882 ' ' LEU . 22.7 t -61.89 -27.37 68.76 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-O 121.131 0.491 . . . . 1.11 110.345 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -81.61 -35.46 30.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.705 -0.679 . . . . 0.76 111.71 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 24.0 p -109.59 -35.63 6.17 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 113.878 1.066 . . . . 1.32 113.878 -171.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . 0.426 ' HA ' ' HD2' ' A' 1879 ' ' PRO . 75.2 m -148.62 89.16 5.11 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.802 0.334 . . . . 1.17 111.363 -169.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' 1878 ' ' SER . 34.8 Cg_endo -64.36 -24.97 64.09 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.973 2.448 . . . . 0.67 112.782 -179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.2 -22.8 62.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 2.24 111.106 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.664 ' O ' ' HG ' ' A' 1885 ' ' LEU . 70.6 mm-40 -75.05 -21.89 58.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.432 -0.349 . . . . 1.89 110.754 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.532 HD22 ' SD ' ' A' 1871 ' ' MET . 90.2 mt -66.07 -35.83 81.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.055 -0.521 . . . . 0.34 111.746 -173.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -58.58 -55.14 32.42 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 120.741 -0.743 . . . . 0.38 112.998 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' 1881 ' ' GLU . 49.2 Cg_exo -59.34 -39.06 80.78 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.679 2.253 . . . . 0.58 112.75 174.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' 1881 ' ' GLU . 68.6 mt -65.36 -41.08 94.21 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 110.306 -0.257 . . . . 0.37 110.306 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -55.34 -36.36 66.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.36 109.881 174.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . 0.636 ' HA ' ' HE3' ' A' 1827 ' ' MET . 17.6 t-20 -73.66 -43.76 58.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.042 -0.527 . . . . 1.43 111.475 -176.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -68.11 -37.11 80.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.847 0.356 . . . . 1.07 110.439 179.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.425 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 45.5 tp -64.31 -32.61 74.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 0.25 109.863 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . 0.586 HG21 ' HB3' ' A' 1827 ' ' MET . 53.5 m -72.91 -49.54 28.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.75 -0.659 . . . . 0.28 111.459 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 81.0 p -70.55 -48.02 57.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.131 0.491 . . . . 1.17 111.007 -172.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.436 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.0 OUTLIER -64.94 -29.3 70.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 0.8 111.367 178.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 41.4 t80 -64.07 -42.81 96.85 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.889 -0.412 . . . . 0.31 109.889 172.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.24 -32.84 57.52 Favored Glycine 0 N--CA 1.452 -0.24 0 CA-C-N 115.828 -0.624 . . . . 0.31 112.361 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -63.89 -53.88 43.5 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.369 -0.604 . . . . 3.04 109.369 177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' 1861 ' ' ALA . 83.2 mt -57.26 -44.61 84.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.303 -0.862 . . . . 0.86 111.058 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . 0.534 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -60.19 -40.66 90.81 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.58 -0.736 . . . . 0.49 111.801 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 18.3 t -76.81 -38.07 54.58 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.955 -0.298 . . . . 1.38 110.72 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.55 ' O ' ' HD2' ' A' 1902 ' ' PRO . 26.2 mt-30 -68.22 -25.27 65.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.555 -0.293 . . . . 1.56 111.645 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.68 -25.64 64.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.34 111.334 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.839 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 1.5 mmmm -62.06 -55.55 39.85 Favored Pre-proline 0 CA--C 1.537 0.472 0 CA-C-N 116.097 -0.501 . . . . 2.27 111.297 -179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.839 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 11.1 Cg_exo -72.94 -29.66 11.87 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.2 1.933 . . . . 0.6 112.386 175.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -58.48 -43.74 89.1 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.888 0.375 . . . . 0.39 110.71 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.4 90.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.836 -0.62 . . . . 0.46 111.533 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.563 HG11 ' HA2' ' A' 1844 ' ' GLY . 10.0 p -75.73 -24.8 17.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.827 0.346 . . . . 1.26 111.426 -176.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.43 -10.76 58.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.025 0.44 . . . . 0.64 111.072 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -79.22 155.39 28.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.913 -0.585 . . . . 0.85 110.693 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 37.0 mp0 -71.24 -66.66 0.59 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.052 0.453 . . . . 2.67 110.936 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.899 ' HB2' HG12 ' A' 1912 ' ' ILE . 42.2 m-80 -84.93 150.52 24.89 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.94 -0.573 . . . . 2.18 110.95 -176.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -63.54 -38.72 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.799 -0.445 . . . . 2.24 109.799 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -53.7 -40.75 66.28 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.269 -0.423 . . . . 2.49 110.987 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.899 HG12 ' HB2' ' A' 1909 ' ' ASN . 37.6 mm -62.99 -51.18 75.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.223 -0.444 . . . . 0.89 110.167 -177.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.73 -39.79 95.43 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.757 -0.735 . . . . 0.51 112.018 177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.24 -40.7 94.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.936 0.398 . . . . 0.46 110.673 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' 1919 ' ' ARG . 30.8 m-70 -64.45 -47.51 78.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.208 -0.451 . . . . 1.62 110.539 177.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' 1912 ' ' ILE . 93.7 mt -56.36 -53.87 34.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-O 120.558 0.218 . . . . 0.4 111.328 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.656 ' O ' ' HG2' ' A' 1921 ' ' GLN . 16.7 ptpt -60.32 -38.97 85.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.402 -0.363 . . . . 1.36 110.93 -177.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 60.3 m170 -70.5 -30.12 66.82 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.699 0.285 . . . . 1.91 111.224 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.789 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 21.8 mmt85 -71.99 -31.48 66.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.415 -0.357 . . . . 2.55 110.658 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' 1897 ' ' ALA . 23.3 t -74.3 -27.52 21.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.717 -0.475 . . . . 0.35 109.717 175.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.656 ' HG2' ' O ' ' A' 1917 ' ' LYS . 19.1 mm-40 -63.17 -38.88 92.9 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.182 -0.673 . . . . 1.22 109.182 172.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.921 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 13.6 mm-40 -56.02 -51.36 68.04 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.091 -0.959 . . . . 1.49 110.007 174.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.39 -41.24 93.41 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.316 -0.857 . . . . 0.67 110.823 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -54.44 -51.79 49.22 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.928 -0.653 . . . . 0.64 112.111 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 37.4 m-70 -60.98 -46.23 91.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.967 0.413 . . . . 0.69 110.581 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.6 -50.68 41.3 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.729 -0.748 . . . . 0.25 112.637 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.425 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 27.4 t -56.7 -49.86 73.86 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 122.384 0.274 . . . . 1.22 110.713 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 20.3 m -50.9 -51.23 53.94 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.081 0.467 . . . . 1.03 110.622 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.26 -44.7 90.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.729 -0.669 . . . . 0.28 111.469 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.53 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.83 -53.22 60.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.28 110.687 -177.08 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.576 ' HB ' HG21 ' A' 1824 ' ' VAL . 22.7 m -66.35 -29.45 46.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.26 111.111 -176.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 90.5 m -72.31 -43.32 64.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.99 -0.55 . . . . 0.8 110.825 177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.906 ' HE3' HG23 ' A' 1946 ' ' THR . 36.4 tptt -68.93 -32.74 72.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.358 -0.383 . . . . 1.27 110.548 -176.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -58.57 -42.08 87.19 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.289 -0.414 . . . . 0.3 111.495 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.71 -38.46 93.88 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.686 -0.769 . . . . 0.4 111.916 177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.33 -31.91 62.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.787 0.327 . . . . 0.5 110.86 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' 1937 ' ' LEU . 2.4 tm? -71.87 -32.35 67.39 Favored 'General case' 0 C--O 1.218 -0.572 0 N-CA-C 109.767 -0.457 . . . . 0.41 109.767 -178.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -70.27 -25.64 63.45 Favored 'General case' 0 C--N 1.318 -0.773 0 C-N-CA 120.662 -0.415 . . . . 1.06 110.749 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 75.7 m -76.06 -18.42 59.22 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.992 -0.549 . . . . 1.43 110.629 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 48.8 m -155.14 73.06 5.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.438 -0.578 . . . . 0.8 109.438 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.36 -17.48 60.26 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.905 2.404 . . . . 0.69 112.786 -174.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 19.4 m -91.08 -12.21 36.33 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.804 -0.634 . . . . 1.54 110.795 -178.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 27.3 t70 -75.68 113.92 13.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 1.16 111.296 -174.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 10.5 m -68.16 -35.3 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 1.33 112.233 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 61.7 t80 -59.51 -54.65 44.19 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.851 0.358 . . . . 1.91 110.728 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.906 HG23 ' HE3' ' A' 1933 ' ' LYS . 26.4 m -62.05 -41.56 98.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.125 -0.489 . . . . 0.6 110.76 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.426 ' O ' HG13 ' A' 1951 ' ' ILE . 39.3 ttpt -63.24 -44.79 94.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.58 -0.737 . . . . 1.2 110.819 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.502 ' HE3' ' OE1' ' A' 1952 ' ' GLU . 27.5 ttpt -52.73 -50.58 63.14 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.039 -0.528 . . . . 2.67 111.138 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.488 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 17.4 mt-10 -64.86 -33.14 75.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.99 -0.55 . . . . 1.53 111.604 -175.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.54 -39.83 77.23 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.524 -0.547 . . . . 0.31 109.524 177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.656 HG23 HG23 ' A' 1872 ' ' VAL . 82.6 mt -60.7 -38.67 79.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.892 -0.594 . . . . 0.35 109.701 174.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.536 ' O ' ' HG3' ' A' 1956 ' ' ARG . 43.8 mt-10 -65.86 -47.16 75.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.88 -0.6 . . . . 2.11 110.413 174.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.531 ' O ' HG23 ' A' 1957 ' ' VAL . 98.6 m -56.41 -41.11 75.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.37 -0.377 . . . . 0.88 110.764 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.22 97.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.415 -0.357 . . . . 0.25 111.721 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' 1952 ' ' GLU . 14.0 ptm180 -74.42 -22.4 59.16 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.66 -0.416 . . . . 3.21 110.804 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' 1952 ' ' GLU . 79.3 mtt180 -72.76 -49.79 28.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 3.16 110.443 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.865 ' HB ' HG21 ' A' 1868 ' ' VAL . 80.5 t -62.55 -43.72 98.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.079 -0.51 . . . . 0.3 111.449 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 6.0 p -61.57 -31.62 71.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.802 0.334 . . . . 1.13 111.288 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' 1955 ' ' ARG . 58.3 mm-40 -70.37 -35.11 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.166 0.508 . . . . 1.86 110.857 176.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.921 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.4 mmtt -69.23 -36.85 77.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.99 -0.55 . . . . 0.65 110.46 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.683 HG22 HD11 ' A' 1864 ' ' ILE . 59.5 t -53.43 -52.24 34.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 O-C-N 123.46 0.475 . . . . 0.27 111.214 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.53 ' HA ' HD12 ' A' 1965 ' ' LEU . 15.7 m -60.18 -37.29 79.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 1.3 110.944 -179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.789 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 36.1 m80 -65.83 -35.77 81.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 1.11 110.787 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.631 HG22 ' HB3' ' A' 1919 ' ' ARG . 54.4 t -69.65 -45.97 76.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.939 0.399 . . . . 0.35 110.161 177.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.533 ' O ' ' HG2' ' A' 1969 ' ' GLN . 61.8 mt -55.35 -47.85 75.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.592 . . . . 0.35 110.722 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -65.3 -25.85 67.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.8 -0.636 . . . . 0.4 111.721 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . 0.601 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -68.51 -39.98 81.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.46 110.32 177.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.658 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.3 mm? -64.71 -37.37 87.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.5 110.399 175.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' 1965 ' ' LEU . 80.1 mm-40 -67.04 -14.97 63.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.884 -0.598 . . . . 1.7 111.38 -176.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -80.21 -19.69 46.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.028 0.442 . . . . 0.93 110.833 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -93.8 171.61 31.8 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.815 -0.707 . . . . 2.0 112.034 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 4.8 t-20 59.03 69.24 0.74 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.344 0.592 . . . . 5.01 109.672 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.436 -0.793 . . . . 7.5 110.044 -176.102 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.741 0 N-CA-C 111.618 -0.593 . . . . 21.55 111.618 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 34.5 pt -96.21 37.09 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.908 0.385 . . . . 20.33 111.461 -176.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' 1812 ' ' PRO . 20.4 t70 -77.93 114.34 40.92 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.446 -0.343 . . . . 19.2 110.351 179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' 1811 ' ' ASP . 83.0 Cg_endo -94.5 17.4 0.92 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.158 2.572 . . . . 18.2 113.064 -176.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 84.1 t80 58.35 85.84 0.09 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.455 0.645 . . . . 20.33 110.875 -177.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 2.9 m -140.99 32.5 1.76 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.654 0.74 . . . . 16.69 109.53 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 13.5 m120 -64.54 -70.21 0.24 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.159 -0.928 . . . . 16.15 111.311 -175.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -97.25 -62.55 1.24 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.93 0.395 . . . . 14.41 110.282 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -157.32 140.2 15.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.74 -0.663 . . . . 12.08 110.247 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -95.1 -81.63 0.39 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.569 -0.287 . . . . 10.45 110.653 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 16.5 m -101.56 88.7 3.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.903 0.383 . . . . 8.54 110.328 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -159.8 126.97 4.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 6.8 110.705 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -74.81 -55.94 5.3 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.29 -0.414 . . . . 4.72 110.337 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 66.98 27.39 73.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 121.156 -0.545 . . . . 3.52 112.825 178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 12.6 m -131.81 117.79 35.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.892 0.377 . . . . 2.13 110.777 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.59 ' HA ' ' SD ' ' A' 1827 ' ' MET . 60.2 t 75.53 -21.89 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.686 -0.688 . . . . 1.83 112.359 174.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -55.05 -43.66 83.19 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.191 -0.528 . . . . 2.1 112.716 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -84.34 -24.0 49.05 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.662 -0.78 . . . . 0.91 111.756 178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.59 ' SD ' ' HA ' ' A' 1824 ' ' VAL . 39.2 mtp -69.12 -45.25 70.63 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.37 -0.415 . . . . 1.1 110.918 -179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 9.4 p -64.1 -25.97 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 0.74 110.898 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.64 -45.15 84.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.411 -0.359 . . . . 0.87 110.446 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.0 m -61.31 -37.82 84.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.97 110.411 177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' 1835 ' ' ILE . 68.2 mt -65.15 -42.21 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.32 110.197 177.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 31.2 m -63.18 -47.95 80.43 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.997 -0.547 . . . . 0.61 111.058 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.14 -39.97 88.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.118 0.485 . . . . 2.49 110.458 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.533 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -60.24 -36.28 77.39 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.571 -0.741 . . . . 0.34 111.382 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . 0.633 ' HA ' HE22 ' A' 1921 ' ' GLN . 43.3 mt -67.19 -51.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.073 0.463 . . . . 0.49 110.493 176.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . 0.485 HD22 ' N ' ' A' 1836 ' ' ASN . 0.9 OUTLIER -64.83 -37.54 87.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.75 -0.659 . . . . 0.72 111.868 -172.167 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -64.14 -35.87 82.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.616 0.246 . . . . 1.0 111.35 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 97.5 mt -79.38 -32.33 43.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.79 110.875 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.69 -32.57 74.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.639 -0.709 . . . . 1.79 110.831 -178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -68.42 -57.25 6.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.526 . . . . 3.25 111.132 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 166.31 168.23 28.17 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.269 -0.967 . . . . 1.73 112.768 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . 0.467 ' HB3' ' HB3' ' A' 1904 ' ' ALA . 72.9 Cg_endo -87.58 122.58 1.72 Allowed 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.94 2.427 . . . . 2.43 111.771 178.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 65.7 mtt -77.83 130.32 36.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.38 -0.373 . . . . 5.03 110.034 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . 0.691 ' HA2' HG21 ' A' 1905 ' ' VAL . . . -75.24 70.96 1.81 Allowed Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.763 -0.653 . . . . 1.86 113.134 -174.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -150.11 79.55 7.56 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-O 120.673 0.273 . . . . 3.08 110.566 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.404 ' HA ' ' HB3' ' A' 1902 ' ' PRO . 55.7 Cg_endo -92.76 127.8 0.77 Allowed 'Trans proline' 0 N--CA 1.45 -1.038 0 C-N-CA 122.521 2.147 . . . . 1.21 111.948 172.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -78.0 -25.12 47.85 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.262 0.553 . . . . 2.82 110.256 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -130.32 -162.91 10.9 Favored Glycine 0 N--CA 1.445 -0.708 0 N-CA-C 110.769 -0.932 . . . . 1.14 110.769 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 31.5 m -94.81 172.67 8.02 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 117.135 0.468 . . . . 1.64 110.054 178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.487 ' CE2' ' HA3' ' A' 1971 ' ' GLY . 88.6 t80 -56.32 -39.55 72.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.896 0.379 . . . . 0.68 110.92 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -61.62 -35.55 67.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.95 -0.568 . . . . 0.79 111.403 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.03 -50.98 52.08 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 120.968 0.413 . . . . 1.71 110.147 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.481 ' CZ ' ' HB2' ' A' 1902 ' ' PRO . 49.4 m-85 -61.57 -37.07 82.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.605 . . . . 1.07 111.172 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.667 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 6.3 tt0 -61.69 -54.4 43.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.622 -0.263 . . . . 0.99 110.708 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 28.5 m -57.05 -34.81 68.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.488 . . . . 1.46 110.763 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 56.3 m -74.36 -49.36 23.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.305 -0.407 . . . . 0.42 111.307 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.12 -35.8 81.93 Favored 'General case' 0 CA--C 1.518 -0.259 0 N-CA-C 112.03 0.381 . . . . 0.71 112.03 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.742 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.3 m -64.81 -35.93 76.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 119.869 -0.733 . . . . 0.29 110.027 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -66.89 -47.08 72.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.804 0.335 . . . . 3.02 110.266 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.459 ' HB ' HD21 ' A' 1896 ' ' LEU . 4.4 m -63.37 -36.15 82.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.479 . . . . 0.35 110.691 179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.557 ' O ' HG13 ' A' 1864 ' ' ILE . . . -65.4 -45.17 85.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.275 -0.42 . . . . 0.25 110.894 178.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.742 ' HG3' ' O ' ' A' 1858 ' ' VAL . 82.5 mttt -62.61 -32.63 73.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.944 0.402 . . . . 1.31 110.171 177.018 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.55 -42.59 95.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.41 111.278 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.718 HD11 HG22 ' A' 1961 ' ' VAL . 1.3 pp -75.75 -27.27 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.189 -0.604 . . . . 0.28 109.871 177.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.827 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.42 -37.74 74.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.25 -0.432 . . . . 0.2 111.481 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.563 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.9 p -73.63 -24.39 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.33 0.586 . . . . 0.73 109.875 176.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.554 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.5 m -69.92 -53.56 17.37 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.877 -0.601 . . . . 0.25 110.389 174.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.515 HG12 ' HA ' ' A' 1865 ' ' ALA . 2.6 p -62.64 -37.68 79.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.488 -0.324 . . . . 0.28 111.47 -179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.563 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -64.43 -29.94 70.99 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.089 0.471 . . . . 0.91 109.795 178.201 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -77.86 -37.7 47.66 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 116.007 -0.542 . . . . 0.57 110.338 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.554 ' HG3' ' O ' ' A' 1867 ' ' THR . 86.9 mtp -63.66 -44.2 94.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.477 -0.328 . . . . 1.25 110.94 -176.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' 1951 ' ' ILE . 7.8 p -62.61 -29.33 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.61 0.719 . . . . 0.59 110.451 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 98.1 m -81.01 -55.12 4.99 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.104 -0.953 . . . . 0.44 111.085 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.455 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 6.8 mmpt? -59.0 -30.72 68.2 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.972 -0.558 . . . . 1.4 112.472 -174.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.409 ' OG ' HD22 ' A' 1950 ' ' LEU . 50.9 m -55.35 -23.98 26.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.127 0.489 . . . . 1.11 111.676 -178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -76.33 -39.74 53.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.001 -0.545 . . . . 0.76 111.529 -179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 41.6 p -109.48 -40.05 5.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.806 0.669 . . . . 1.32 112.806 -174.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 69.0 m -133.35 95.65 18.01 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.202 -0.454 . . . . 1.17 110.975 -167.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -78.1 -18.09 13.06 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.564 2.176 . . . . 0.67 113.166 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.73 -14.28 35.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.813 -0.355 . . . . 2.24 110.872 -177.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -80.47 -10.74 59.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.033 0.444 . . . . 1.89 110.499 176.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.675 HD12 HD12 ' A' 1937 ' ' LEU . 96.1 mt -68.78 -37.72 79.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.995 -0.548 . . . . 0.34 111.08 -178.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -60.87 -54.38 37.37 Favored Glycine 0 CA--C 1.522 0.508 0 CA-C-O 119.687 -0.507 . . . . 0.38 112.95 178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -51.97 -41.73 62.2 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 122.82 2.347 . . . . 0.58 112.645 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 75.8 mt -69.84 -44.0 70.8 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.541 -0.299 . . . . 0.37 110.684 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -58.2 -32.42 68.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.087 0.47 . . . . 0.36 109.848 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -68.43 -47.08 68.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.692 -0.685 . . . . 1.43 110.503 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -68.02 -44.66 76.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.165 -0.47 . . . . 1.07 110.737 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.49 ' HB2' HG21 ' A' 1867 ' ' THR . 48.0 tp -53.52 -40.15 65.2 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.374 0.607 . . . . 0.25 109.818 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 7.3 m -61.79 -54.23 45.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.89 -1.05 . . . . 0.28 111.71 177.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 19.6 m -70.9 -38.66 73.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.139 -0.482 . . . . 1.17 111.998 -173.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.466 ' HB3' HG22 ' A' 1864 ' ' ILE . 2.7 m-20 -69.39 -29.77 67.6 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.86 -0.336 . . . . 0.8 110.693 177.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . 0.422 ' CE2' HG23 ' A' 1831 ' ' ILE . 28.3 t80 -64.66 -46.07 84.05 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.899 -0.32 . . . . 0.31 110.141 173.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.96 -34.12 61.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.999 -0.619 . . . . 0.31 111.953 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 81.9 mtt180 -66.32 -48.78 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.188 -0.301 . . . . 3.04 110.188 177.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.459 HD21 ' HB ' ' A' 1860 ' ' THR . 12.6 mt -56.93 -48.94 77.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.279 -0.419 . . . . 0.86 111.325 176.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . 0.571 ' HA ' HG11 ' A' 1920 ' ' VAL . . . -62.41 -32.79 73.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.159 -0.473 . . . . 0.49 111.521 -177.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 35.1 t -72.64 -43.52 63.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.184 -0.462 . . . . 1.38 110.212 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.45 ' O ' ' HD2' ' A' 1902 ' ' PRO . 18.7 mt-30 -71.72 -26.04 62.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 1.56 111.686 -178.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.7 -27.32 65.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.379 -0.373 . . . . 0.34 111.867 -177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.786 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 56.8 mtpt -63.03 -57.32 21.74 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.462 -0.335 . . . . 2.27 111.327 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.786 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 16.1 Cg_exo -68.93 -29.7 27.53 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 121.954 1.769 . . . . 0.6 111.988 176.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.59 94.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 0.39 110.838 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' A' 1842 ' ' PRO . . . -62.37 -44.4 96.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.73 -0.668 . . . . 0.46 111.488 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.691 HG21 ' HA2' ' A' 1844 ' ' GLY . 7.4 p -75.91 -24.54 16.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-O 120.725 0.298 . . . . 1.26 111.369 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -73.67 -13.44 60.99 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.901 0.382 . . . . 0.64 111.073 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -75.65 171.28 14.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.951 -0.568 . . . . 0.85 110.215 177.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -92.94 -2.82 55.45 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.361 0.6 . . . . 2.67 110.439 -177.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.902 ' ND2' ' HB ' ' A' 1912 ' ' ILE . 0.2 OUTLIER -147.31 162.56 38.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.44 -0.8 . . . . 2.18 111.093 -173.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -84.45 -34.95 23.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.141 -0.481 . . . . 2.24 110.419 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -49.22 78.63 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.779 0.323 . . . . 2.49 111.285 -177.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.902 ' HB ' ' ND2' ' A' 1909 ' ' ASN . 22.5 mm -62.55 -42.85 97.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.015 -0.539 . . . . 0.89 110.475 178.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -64.18 -44.32 95.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.637 -0.792 . . . . 0.51 111.965 178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . 0.688 ' HA ' ' HE3' ' A' 1917 ' ' LYS . . . -61.02 -40.25 92.83 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 120.907 0.384 . . . . 0.46 110.435 177.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.417 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.6 t-160 -61.27 -34.98 76.08 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.606 -0.725 . . . . 1.62 110.266 -179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' 1920 ' ' VAL . 91.2 mt -68.99 -54.67 18.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 121.021 0.439 . . . . 0.4 110.451 175.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.688 ' HE3' ' HA ' ' A' 1914 ' ' ALA . 51.5 mtmt -56.29 -46.87 79.57 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.483 -0.78 . . . . 1.36 111.019 -177.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -63.9 -31.79 73.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.676 -0.693 . . . . 1.91 111.858 -177.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.531 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 22.0 mmt180 -78.23 -24.22 47.08 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.832 -0.347 . . . . 2.55 111.225 179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.571 HG11 ' HA ' ' A' 1897 ' ' ALA . 56.0 t -73.74 -30.65 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.365 0.602 . . . . 0.35 109.461 173.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.633 HE22 ' HA ' ' A' 1835 ' ' ILE . 19.7 mm-40 -62.68 -25.25 68.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.835 -0.621 . . . . 1.22 109.831 175.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.705 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 6.5 mm-40 -61.85 -47.46 84.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.51 -0.768 . . . . 1.49 110.815 177.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.668 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 0.9 OUTLIER -70.8 -27.57 63.99 Favored 'General case' 0 C--O 1.222 -0.394 0 N-CA-C 108.635 -0.876 . . . . 0.67 108.635 175.071 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . 0.44 ' O ' HD11 ' A' 1835 ' ' ILE . . . -56.28 -36.56 69.52 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.777 -0.725 . . . . 0.64 111.948 177.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -93.44 -46.9 7.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.746 0.308 . . . . 0.69 110.437 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -65.5 -52.89 35.52 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 121.226 -0.511 . . . . 0.25 113.145 -177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.668 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 93.1 m -65.82 -33.9 76.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.697 0.248 . . . . 1.22 110.812 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 32.1 t -58.32 -50.86 72.14 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.423 -0.584 . . . . 1.03 109.423 174.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.44 98.83 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.419 -0.81 . . . . 0.28 110.644 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.721 HD12 HG21 ' A' 1957 ' ' VAL . 0.5 OUTLIER -58.71 -50.13 75.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.023 -0.535 . . . . 0.28 111.261 -177.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 18.8 m -69.3 -26.26 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.733 0.302 . . . . 0.26 110.799 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.5 m -70.67 -46.11 63.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 0.8 110.377 176.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -61.66 -37.24 83.33 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.23 -0.441 . . . . 1.27 110.746 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.12 84.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.693 -0.231 . . . . 0.3 111.03 178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -58.91 -40.75 95.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.619 -0.8 . . . . 0.4 111.995 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -71.04 -34.69 71.49 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.884 0.373 . . . . 0.5 111.084 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.675 HD12 HD12 ' A' 1882 ' ' LEU . 3.3 tm? -70.04 -38.56 75.89 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 109.599 -0.519 . . . . 0.41 109.599 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -71.81 -25.05 61.84 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.218 0.533 . . . . 1.06 110.989 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 48.7 t -71.92 -24.53 61.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.728 -0.669 . . . . 1.43 110.147 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' 1942 ' ' SER . 61.3 m -152.15 72.84 7.76 Favored Pre-proline 0 C--N 1.327 -0.392 0 N-CA-C 109.974 -0.38 . . . . 0.8 109.974 177.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.16 11.7 0.16 Allowed 'Trans proline' 0 N--CA 1.48 0.711 0 C-N-CA 123.385 2.723 . . . . 0.69 113.568 -173.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' 1940 ' ' SER . 50.5 m -114.81 4.5 14.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.228 -0.442 . . . . 1.54 111.117 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . 0.413 ' OD1' ' HB ' ' A' 1946 ' ' THR . 0.7 OUTLIER -85.06 168.2 15.11 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.741 -0.466 . . . . 1.16 109.741 178.216 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 96.3 t -117.09 -42.35 2.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.334 -0.394 . . . . 1.33 110.605 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.46 ' O ' ' HG3' ' A' 1949 ' ' GLU . 33.6 t80 -63.83 -51.47 64.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.013 -0.539 . . . . 1.91 111.705 -174.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.413 ' HB ' ' OD1' ' A' 1943 ' ' ASP . 98.2 m -66.09 -39.75 90.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.139 -0.482 . . . . 0.6 110.409 -176.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -61.6 -43.99 97.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.733 -0.667 . . . . 1.2 110.159 175.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' 1952 ' ' GLU . 54.3 tttm -60.7 -41.54 95.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.838 -0.619 . . . . 2.67 110.569 177.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' 1945 ' ' TYR . 32.5 mt-10 -58.75 -38.01 77.48 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.531 -0.304 . . . . 1.53 110.841 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.494 ' HG ' HD23 ' A' 1930 ' ' LEU . 8.9 tt -67.59 -42.04 83.11 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.034 -0.358 . . . . 0.31 110.034 178.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.62 ' O ' ' HG3' ' A' 1955 ' ' ARG . 97.6 mt -56.48 -49.52 76.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.35 109.987 175.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' 1948 ' ' LYS . 61.0 mm-40 -63.42 -42.18 98.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 2.11 110.539 178.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.493 ' O ' HG23 ' A' 1957 ' ' VAL . 34.2 t -62.37 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.85 -0.614 . . . . 0.88 110.613 -178.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.63 -40.33 87.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 0.25 110.658 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' 1951 ' ' ILE . 78.5 mtp180 -58.93 -44.49 91.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.115 -0.493 . . . . 3.21 110.522 178.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.508 ' O ' ' HG2' ' A' 1960 ' ' LYS . 23.9 mtm180 -69.39 -39.31 78.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.068 -0.514 . . . . 3.16 110.975 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.721 HG21 HD12 ' A' 1930 ' ' LEU . 97.4 t -64.01 -42.68 96.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.479 -0.328 . . . . 0.3 110.84 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 57.4 m -57.42 -36.75 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 1.13 110.87 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 1955 ' ' ARG . 43.3 mt-10 -67.95 -31.38 71.08 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.134 0.493 . . . . 1.86 110.837 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.705 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.3 mmtt -70.82 -37.17 73.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 0.65 110.086 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.827 HG11 ' HB2' ' A' 1865 ' ' ALA . 20.4 t -59.77 -46.71 93.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.263 -0.426 . . . . 0.27 110.36 177.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 18.2 m -56.39 -35.42 67.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.732 -0.667 . . . . 1.3 110.743 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.531 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 29.3 m80 -72.97 -41.83 63.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 1.11 111.518 177.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' 1960 ' ' LYS . 91.1 t -62.08 -48.88 86.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.854 0.359 . . . . 0.35 110.43 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.19 -42.99 87.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.911 -0.586 . . . . 0.35 110.723 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.36 -37.74 83.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.4 111.187 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.73 96.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.431 . . . . 0.46 111.028 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.667 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.8 mm? -65.31 -48.43 73.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.5 110.682 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . 0.691 ' N ' HE21 ' A' 1969 ' ' GLN . 0.0 OUTLIER -60.87 -24.98 66.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.926 -0.579 . . . . 1.7 111.259 -176.349 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -66.78 -22.37 66.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.928 0.394 . . . . 0.93 110.804 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . 0.487 ' HA3' ' CE2' ' A' 1850 ' ' PHE . . . -80.76 -16.36 75.47 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.864 -0.684 . . . . 2.0 112.435 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . 0.417 HD22 ' HA ' ' A' 1972 ' ' ASN . 5.3 m120 -126.32 86.58 2.54 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.341 0.591 . . . . 5.01 110.751 178.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.313 -0.851 . . . . 7.5 109.752 177.659 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.132 0 N-CA-C 112.503 -0.239 . . . . 21.55 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . 0.423 HG13 ' H ' ' A' 1810 ' ' ILE . 2.3 pp -84.62 17.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.427 0.632 . . . . 20.33 111.019 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . 0.488 ' HB2' ' HD2' ' A' 1812 ' ' PRO . 8.5 p-10 -133.31 178.41 1.78 Allowed Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.098 -0.956 . . . . 19.2 109.485 -171.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' A' 1811 ' ' ASP . 52.4 Cg_exo -56.28 -5.96 1.22 Allowed 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 123.256 2.637 . . . . 18.2 114.287 178.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 91.1 t80 -63.8 -22.64 67.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.471 0.653 . . . . 20.33 109.525 170.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . 0.494 HG23 ' HB3' ' A' 1821 ' ' ALA . 81.5 m -132.14 112.43 12.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.485 -0.779 . . . . 16.69 109.922 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 17.2 m120 -115.07 179.4 3.96 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.029 0.442 . . . . 16.15 111.224 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -109.11 -30.02 8.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.652 -0.703 . . . . 14.41 110.031 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -60.4 142.0 55.57 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.756 -0.657 . . . . 12.08 111.397 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . 67.62 -79.81 0.04 OUTLIER 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.465 -0.789 . . . . 10.45 111.001 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.4 m -140.17 112.43 7.75 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.521 -0.308 . . . . 8.54 110.187 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -63.95 146.72 53.55 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.581 -0.525 . . . . 6.8 109.581 175.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . 0.494 ' HB3' HG23 ' A' 1814 ' ' THR . . . -63.58 -60.34 3.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.921 0.391 . . . . 4.72 111.196 -177.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 79.7 -23.06 3.74 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 3.52 111.984 -177.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . 0.484 HG12 HG23 ' A' 1824 ' ' VAL . 49.9 t 67.98 -70.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 123.502 0.721 . . . . 2.13 111.229 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.484 HG23 HG12 ' A' 1823 ' ' VAL . 46.9 t -112.4 0.13 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.258 0.551 . . . . 1.83 109.89 -179.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -73.9 48.93 1.71 Allowed Glycine 0 CA--C 1.521 0.468 0 CA-C-N 115.831 -0.622 . . . . 2.1 113.263 -177.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -158.3 -52.26 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.908 -0.877 . . . . 0.91 110.908 177.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.415 ' HB2' HG21 ' A' 1890 ' ' THR . 26.6 ptt? -79.04 -14.3 59.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.791 0.329 . . . . 1.1 110.872 178.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . 0.426 ' HB ' HG12 ' A' 1824 ' ' VAL . 12.5 p -63.97 -26.79 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.158 0.504 . . . . 0.74 109.973 176.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -61.98 -34.7 76.65 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.566 -0.743 . . . . 0.87 110.51 176.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 50.6 m -65.34 -36.73 84.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.746 -0.661 . . . . 0.97 110.88 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.406 ' O ' HG13 ' A' 1835 ' ' ILE . 52.6 mt -67.44 -37.27 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.396 -0.365 . . . . 0.32 110.33 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 12.4 m -65.03 -36.11 83.32 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.074 0.464 . . . . 0.61 110.515 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -63.64 -40.03 95.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.048 -0.523 . . . . 2.49 110.171 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.416 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -59.7 -42.46 93.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.615 -0.72 . . . . 0.34 111.095 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . 0.446 HD11 ' O ' ' A' 1924 ' ' GLY . 44.6 mt -61.36 -40.56 86.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.29 0.567 . . . . 0.49 110.479 178.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . 0.588 ' O ' ' HG2' ' A' 1840 ' ' GLU . 19.7 m-80 -69.37 -48.71 60.41 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.025 -0.534 . . . . 0.72 111.644 -177.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . 0.416 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 15.7 pt20 -62.5 -34.22 76.44 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.938 0.347 . . . . 1.0 111.938 -175.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 96.6 mt -74.61 -26.37 59.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.757 0.313 . . . . 0.79 111.103 -178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.24 -41.89 56.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 1.79 110.422 176.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' 1836 ' ' ASN . 12.5 mm-40 -57.48 -51.81 67.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.765 -0.652 . . . . 3.25 111.188 -177.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 160.82 -167.42 35.88 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.229 -0.986 . . . . 1.73 112.94 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -84.39 -165.99 0.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.123 2.548 . . . . 2.43 112.025 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 53.2 ttp -101.24 -73.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.568 -0.287 . . . . 5.03 110.381 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 137.09 160.17 8.52 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.888 -0.672 . . . . 1.86 112.363 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 8.2 p-10 27.46 75.38 0.33 Allowed Pre-proline 0 N--CA 1.473 0.709 0 C-N-CA 124.718 1.207 . . . . 3.08 112.971 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -65.78 131.32 27.11 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.463 2.108 . . . . 1.21 111.707 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -79.74 2.59 22.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 2.82 111.329 -177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -140.78 166.03 26.02 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.445 -0.662 . . . . 1.14 111.445 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 37.6 t -76.0 168.76 19.45 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.97 -0.381 . . . . 1.64 109.97 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.572 ' HE1' HD11 ' A' 1916 ' ' ILE . 73.0 t80 -55.47 -40.32 71.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 0.68 110.47 178.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 5.7 p -55.56 -38.21 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 115.796 -0.638 . . . . 0.79 111.475 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.48 -55.93 15.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.79 0.329 . . . . 1.71 110.782 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -63.71 -34.44 77.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 1.07 110.972 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.622 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 51.4 tt0 -59.63 -57.23 13.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.213 -0.449 . . . . 0.99 110.72 176.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 56.9 m -58.53 -39.84 81.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.915 -0.584 . . . . 1.46 111.14 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 23.8 m -65.84 -46.69 77.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.834 0.35 . . . . 0.42 110.895 178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 67.8 mtp -66.53 -43.46 85.1 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 112.183 0.438 . . . . 0.71 112.183 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.678 ' O ' ' HG3' ' A' 1862 ' ' LYS . 24.4 m -64.12 -33.02 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 119.964 -0.695 . . . . 0.29 110.473 -178.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -62.01 -51.42 68.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.827 0.346 . . . . 3.02 110.451 175.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.525 ' O ' HG23 ' A' 1864 ' ' ILE . 21.5 m -64.7 -35.77 82.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 0.35 111.099 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.536 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.66 -47.51 80.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 0.25 110.829 178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.0 mttt -65.28 -29.23 69.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.943 0.402 . . . . 1.31 110.282 176.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . 0.401 ' O ' HG12 ' A' 1866 ' ' VAL . . . -67.59 -44.36 78.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.584 . . . . 0.41 110.993 176.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.58 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -74.65 -23.21 17.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.514 -0.474 . . . . 0.28 110.035 178.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.756 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.59 -38.72 80.89 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.168 -0.469 . . . . 0.2 111.361 179.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.411 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.7 p -75.01 -25.11 18.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.45 -0.5 . . . . 0.73 110.01 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.557 ' O ' ' HG3' ' A' 1871 ' ' MET . 91.8 m -64.78 -56.52 13.06 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.058 -0.519 . . . . 0.25 110.792 173.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.677 HG23 HD11 ' A' 1930 ' ' LEU . 2.4 p -60.59 -39.51 81.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.455 -0.339 . . . . 0.28 111.378 -178.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.411 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -67.76 -25.41 65.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.13 0.49 . . . . 0.91 110.012 178.737 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -75.62 -38.3 59.09 Favored 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 109.461 -0.57 . . . . 0.57 109.461 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.557 ' HG3' ' O ' ' A' 1867 ' ' THR . 85.4 mtp -62.24 -45.43 93.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.866 -0.606 . . . . 1.25 111.364 -175.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' 1954 ' ' ALA . 7.1 p -60.17 -43.85 94.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.168 0.509 . . . . 0.59 110.855 179.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 21.0 m -69.57 -43.01 73.76 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.511 -0.768 . . . . 0.44 111.232 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.564 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 5.3 mmpt? -68.95 -32.41 71.98 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.61 -0.268 . . . . 1.4 111.427 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 26.0 t -60.49 -24.36 65.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.882 0.372 . . . . 1.11 110.483 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -81.52 -36.09 29.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.895 -0.593 . . . . 0.76 111.826 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 25.8 p -107.62 -36.99 6.29 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.833 0.679 . . . . 1.32 112.833 -172.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 72.0 m -142.01 88.47 9.27 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.993 -0.549 . . . . 1.17 110.116 -171.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.18 -29.29 55.79 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.507 2.138 . . . . 0.67 113.214 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.8 -18.62 53.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.963 0.411 . . . . 2.24 110.499 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -70.39 -11.19 60.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.093 -0.503 . . . . 1.89 110.511 176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.669 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 96.4 mt -69.3 -28.4 66.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.766 -0.652 . . . . 0.34 110.861 177.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . 0.418 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -62.62 -55.89 24.56 Favored Glycine 0 CA--C 1.521 0.465 0 C-N-CA 120.774 -0.727 . . . . 0.38 113.103 -178.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.418 ' HD2' ' N ' ' A' 1883 ' ' GLY . 12.9 Cg_endo -59.14 -37.46 92.06 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.444 2.096 . . . . 0.58 112.571 175.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.556 HD11 ' HG3' ' A' 1874 ' ' LYS . 80.1 mt -71.35 -42.36 68.6 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.155 -0.218 . . . . 0.37 111.089 -178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . 0.403 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.66 -33.44 71.54 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.24 0.543 . . . . 0.36 109.723 174.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.16 -43.71 73.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.593 -0.73 . . . . 1.43 110.338 178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -67.8 -42.55 81.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.823 -0.626 . . . . 1.07 110.984 178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 36.4 tp -60.08 -32.31 70.83 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.872 -0.418 . . . . 0.25 109.872 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . 0.415 HG21 ' HB2' ' A' 1827 ' ' MET . 53.7 m -72.9 -49.82 27.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.964 -0.562 . . . . 0.28 111.434 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 54.6 p -67.62 -50.06 59.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.406 0.622 . . . . 1.17 111.293 -174.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.16 -31.32 69.89 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.119 -0.946 . . . . 0.8 111.482 -176.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . 0.531 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 43.6 t80 -64.91 -40.27 94.82 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.604 -0.438 . . . . 0.31 110.082 174.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -55.98 -31.1 58.3 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.809 -0.632 . . . . 0.31 112.109 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -68.04 -45.47 73.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.835 0.35 . . . . 3.04 110.17 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' 1861 ' ' ALA . 20.1 mt -61.36 -41.38 96.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.402 -0.363 . . . . 0.86 110.896 177.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.38 98.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.183 -0.462 . . . . 0.49 111.426 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 5.7 p -77.56 -36.55 52.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.527 -0.306 . . . . 1.38 111.419 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.545 ' O ' ' HD2' ' A' 1902 ' ' PRO . 20.9 mt-30 -74.74 -24.11 58.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.765 -0.198 . . . . 1.56 111.391 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -69.47 -29.83 67.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.76 0.314 . . . . 0.34 111.476 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.824 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 7.9 mmmm -58.74 -53.32 67.5 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 116.302 -0.408 . . . . 2.27 111.507 -179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.824 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 11.0 Cg_exo -73.11 -28.84 12.37 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 122.26 1.973 . . . . 0.6 112.305 174.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.05 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.39 110.768 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . 0.479 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -59.4 -46.48 88.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.733 -0.667 . . . . 0.46 111.416 179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' 1902 ' ' PRO . 12.4 p -75.57 -23.36 16.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.233 -0.44 . . . . 1.26 111.044 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.53 -20.62 56.71 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.77 0.319 . . . . 0.64 111.134 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -72.33 139.77 48.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.237 -0.438 . . . . 0.85 110.259 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -90.11 -28.61 18.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.048 0.451 . . . . 2.67 110.094 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.474 ' HB3' HG12 ' A' 1912 ' ' ILE . 51.7 t-20 -87.69 122.24 31.12 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.322 -0.992 . . . . 2.18 108.322 172.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.28 -36.19 77.26 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.401 -0.363 . . . . 2.24 111.457 -173.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.67 -35.19 80.06 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 116.432 -0.349 . . . . 2.49 111.047 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.551 ' O ' HG13 ' A' 1916 ' ' ILE . 41.6 mm -60.67 -51.02 77.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.741 -0.466 . . . . 0.89 109.741 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -60.41 -42.09 98.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.978 -0.629 . . . . 0.51 112.585 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.4 89.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 0.46 110.609 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.522 ' O ' ' HG2' ' A' 1919 ' ' ARG . 24.0 m-70 -66.42 -40.16 89.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.69 -0.686 . . . . 1.62 111.335 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.572 HD11 ' HE1' ' A' 1850 ' ' PHE . 74.0 mt -53.09 -54.65 16.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-O 120.785 0.326 . . . . 0.4 110.98 178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.56 ' O ' ' HG3' ' A' 1921 ' ' GLN . 50.4 mtmt -59.08 -47.59 84.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 1.36 110.566 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -64.53 -34.74 78.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.529 -0.76 . . . . 1.91 112.023 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.606 ' HB3' HG22 ' A' 1964 ' ' VAL . 29.9 mmt180 -66.21 -40.07 90.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.879 0.371 . . . . 2.55 110.567 177.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' 1916 ' ' ILE . 60.7 t -65.23 -27.97 43.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.469 0.652 . . . . 0.35 110.098 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' 1917 ' ' LYS . 18.0 mt-30 -71.39 -24.73 62.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.836 -0.62 . . . . 1.22 111.365 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.73 -42.39 83.77 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.935 -0.765 . . . . 1.49 108.935 171.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.728 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.6 mt -74.13 -26.79 60.53 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 115.634 -0.712 . . . . 0.67 109.886 174.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . 0.446 ' O ' HD11 ' A' 1835 ' ' ILE . . . -57.91 -33.24 67.98 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.015 -1.088 . . . . 0.64 111.456 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -91.37 -46.59 7.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.669 0.271 . . . . 0.69 110.635 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.55 -50.04 46.19 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.085 -0.579 . . . . 0.25 113.215 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.728 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 88.2 m -65.41 -37.25 86.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.703 0.287 . . . . 1.22 110.436 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 30.9 t -61.0 -46.5 90.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.201 0.524 . . . . 1.03 110.175 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.22 90.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.644 -0.707 . . . . 0.28 110.725 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.677 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.84 -52.87 62.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.044 -0.525 . . . . 0.28 110.871 -178.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' 1886 ' ' ALA . 32.9 m -63.84 -37.63 80.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.83 0.348 . . . . 0.26 110.721 -178.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 91.3 m -65.33 -42.01 93.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.071 0.462 . . . . 0.8 110.658 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.55 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.4 tptt -67.22 -40.69 86.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.914 -0.585 . . . . 1.27 110.642 -178.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . 0.669 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -59.1 -35.76 73.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.3 111.054 176.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -62.35 -41.88 99.73 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.555 -0.831 . . . . 0.4 111.522 175.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.02 -31.47 64.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.746 0.308 . . . . 0.5 111.047 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' 1937 ' ' LEU . 2.7 tm? -70.42 -31.17 68.25 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 109.505 -0.554 . . . . 0.41 109.505 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -76.13 -25.83 55.73 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.026 0.441 . . . . 1.06 110.858 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 49.6 t -76.28 -17.85 59.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.824 -0.625 . . . . 1.43 110.011 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 26.1 m -153.16 70.02 6.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.8 109.965 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -65.76 -13.19 38.64 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.813 2.342 . . . . 0.69 113.047 -173.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 20.3 m -95.18 -0.69 52.98 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.962 -0.563 . . . . 1.54 111.047 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -87.58 107.94 18.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.218 0.532 . . . . 1.16 110.211 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 61.0 t -68.97 -31.85 52.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.647 -0.706 . . . . 1.33 111.095 -176.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 61.5 t80 -64.46 -48.51 75.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.509 -0.314 . . . . 1.91 110.537 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.539 HG23 ' HE3' ' A' 1933 ' ' LYS . 41.8 m -59.25 -42.92 92.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.6 110.597 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.471 ' O ' HG13 ' A' 1951 ' ' ILE . 29.0 ttpp -63.37 -42.42 98.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.073 -0.512 . . . . 1.2 110.111 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -58.4 -42.84 88.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 2.67 110.699 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.55 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 42.4 mt-10 -65.18 -41.47 94.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.952 -0.567 . . . . 1.53 110.778 178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.59 -39.71 84.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.61 -0.268 . . . . 0.31 110.615 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' 1947 ' ' LYS . 96.7 mt -55.37 -45.21 77.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.983 0.42 . . . . 0.35 109.892 174.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' A' 1956 ' ' ARG . 23.7 mm-40 -59.18 -52.67 64.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.916 -0.583 . . . . 2.11 111.04 174.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.546 ' O ' HG23 ' A' 1957 ' ' VAL . 71.7 m -52.91 -47.21 68.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.309 -0.405 . . . . 0.88 110.876 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.464 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -58.82 -43.89 90.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.383 -0.371 . . . . 0.25 111.65 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' 1955 ' ' ARG . 48.3 mtp180 -60.43 -46.56 89.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.368 0.604 . . . . 3.21 110.227 177.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' 1952 ' ' GLU . 92.7 mtt180 -68.01 -39.23 83.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.133 -0.94 . . . . 3.16 111.31 -174.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.609 ' HB ' HG21 ' A' 1868 ' ' VAL . 95.9 t -63.21 -44.42 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.728 0.299 . . . . 0.3 110.347 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 32.6 t -57.51 -38.45 74.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.116 -0.493 . . . . 1.13 110.372 178.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -68.25 -35.41 77.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.928 -0.578 . . . . 1.86 110.968 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.587 ' O ' HG23 ' A' 1964 ' ' VAL . 28.2 mmtp -69.46 -35.94 76.1 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 121.002 -0.279 . . . . 0.65 110.515 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.756 HG11 ' HB2' ' A' 1865 ' ' ALA . 51.1 t -57.3 -44.23 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-O 120.967 0.413 . . . . 0.27 110.126 175.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 30.3 t -59.21 -36.19 74.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.7 -0.682 . . . . 1.3 110.355 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 43.3 m170 -70.92 -38.48 72.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 1.11 110.279 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.606 HG22 ' HB3' ' A' 1919 ' ' ARG . 56.9 t -62.0 -52.11 64.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.243 -0.435 . . . . 0.35 110.499 176.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 63.9 mt -55.28 -43.89 75.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.657 -0.701 . . . . 0.35 110.714 178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.48 74.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.017 -0.538 . . . . 0.4 111.566 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -65.94 -40.32 91.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.37 . . . . 0.46 110.743 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.622 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -68.53 -49.43 59.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.129 -0.487 . . . . 0.5 110.369 177.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.79 -24.83 66.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.309 -0.405 . . . . 1.7 111.537 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -69.75 -23.2 63.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.897 0.38 . . . . 0.93 110.805 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -75.89 -6.61 82.55 Favored Glycine 0 N--CA 1.45 -0.372 0 CA-C-N 115.923 -0.581 . . . . 2.0 112.475 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 15.8 m120 -90.96 -2.96 57.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.87 0.366 . . . . 5.01 110.032 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 . . . . . 0 C--O 1.248 0.989 0 CA-C-N 115.036 -0.984 . . . . 7.5 111.19 -178.796 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.52 0 N-CA-C 111.778 -0.529 . . . . 21.55 111.778 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 10.7 tp -105.9 5.17 10.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.711 0.767 . . . . 20.33 109.74 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -128.63 127.13 23.55 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.227 -0.897 . . . . 19.2 109.927 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.52 -7.97 21.77 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.017 2.478 . . . . 18.2 114.036 -173.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.09 -34.76 79.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.099 0.476 . . . . 20.33 110.147 178.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 13.5 t -101.35 166.78 10.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.014 -0.539 . . . . 16.69 109.666 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 23.0 p30 -67.03 164.97 16.64 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.432 0.53 . . . . 16.15 112.432 -174.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 28.5 tt0 58.51 72.37 0.53 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.878 -1.055 . . . . 14.41 111.282 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -152.23 86.93 1.3 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.886 -0.597 . . . . 12.08 110.66 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -155.65 -174.86 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.252 -0.431 . . . . 10.45 110.603 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.5 m -69.82 119.53 14.19 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.519 -0.548 . . . . 8.54 109.519 175.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 65.86 -81.02 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.901 0.75 . . . . 6.8 110.747 -173.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -170.19 155.04 5.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.365 -0.38 . . . . 4.72 110.076 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -98.67 12.61 62.84 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.712 -0.756 . . . . 3.52 111.808 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 25.3 m -83.07 -169.65 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.926 0.393 . . . . 2.13 110.959 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.609 HG12 ' HB ' ' A' 1828 ' ' VAL . 62.0 t -83.53 -33.84 10.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.142 -0.481 . . . . 1.83 110.923 -176.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -53.43 112.59 2.44 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.849 -0.691 . . . . 2.1 111.614 176.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 124.59 -61.05 0.6 Allowed Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.924 -0.655 . . . . 0.91 111.857 -174.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.41 ' HE3' ' C ' ' A' 1886 ' ' ALA . 25.7 ptt? -79.39 -21.5 45.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.741 0.305 . . . . 1.1 110.798 -179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . 0.609 ' HB ' HG12 ' A' 1824 ' ' VAL . 14.5 p -60.57 -23.56 28.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 121.275 0.559 . . . . 0.74 110.287 177.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -58.02 -36.69 73.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.525 -0.761 . . . . 0.87 110.945 176.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 15.8 m -64.61 -34.7 78.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.97 110.672 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 54.7 mt -68.12 -46.08 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.55 . . . . 0.32 109.613 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 20.9 m -62.47 -48.03 81.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.425 -0.807 . . . . 0.61 111.133 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -59.72 -38.16 80.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 2.49 110.861 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -61.42 -38.12 85.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.86 -0.609 . . . . 0.34 111.33 -178.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.94 -44.44 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.06 0.457 . . . . 0.49 110.718 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -63.15 -49.41 74.44 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.769 -0.65 . . . . 0.72 111.684 -175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -67.2 -33.07 74.59 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.544 0.572 . . . . 1.0 112.544 -175.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.568 HD13 ' HB ' ' A' 1920 ' ' VAL . 66.4 mt -61.84 -43.79 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.065 0.394 . . . . 0.79 112.065 -175.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -78.65 -26.7 45.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.849 0.357 . . . . 1.79 110.478 -176.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -68.96 -48.41 63.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.045 -0.525 . . . . 3.25 110.25 175.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 107.19 164.71 22.06 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.815 -0.707 . . . . 1.73 112.257 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . 0.497 ' HG3' ' O ' ' A' 1901 ' ' LYS . 65.1 Cg_endo -86.15 -164.66 0.23 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 123.093 2.529 . . . . 2.43 112.159 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 58.7 mtm -94.84 18.54 11.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.074 0.464 . . . . 5.03 109.931 176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . 0.752 ' HA2' HG21 ' A' 1905 ' ' VAL . . . 66.55 39.63 93.98 Favored Glycine 0 CA--C 1.506 -0.513 0 C-N-CA 120.79 -0.719 . . . . 1.86 111.374 -174.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -117.61 81.63 14.87 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 121.135 0.493 . . . . 3.08 111.836 -176.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.477 ' HA ' ' HB3' ' A' 1902 ' ' PRO . 60.0 Cg_endo -83.81 120.68 2.74 Favored 'Trans proline' 0 N--CA 1.449 -1.108 0 C-N-CA 121.923 1.749 . . . . 1.21 111.253 170.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -68.44 -33.16 73.7 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.781 -0.645 . . . . 2.82 109.744 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -131.29 -169.71 12.48 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.511 -0.768 . . . . 1.14 111.738 -178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 20.0 t -82.96 159.29 22.29 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.674 -0.491 . . . . 1.64 109.674 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 68.3 t80 -55.16 -38.12 67.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.442 -0.345 . . . . 0.68 111.069 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.3 p -53.87 -41.74 50.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.79 111.517 177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.67 -43.73 83.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.422 . . . . 1.71 110.167 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.418 ' CZ ' ' HB2' ' A' 1902 ' ' PRO . 84.0 m-85 -66.73 -44.23 82.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.255 -0.43 . . . . 1.07 110.845 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.33 -53.91 53.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.014 -0.539 . . . . 0.99 110.846 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 5.9 t -62.96 -27.61 69.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 1.46 111.054 -176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 34.7 m -78.51 -51.51 9.87 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.843 0.354 . . . . 0.42 110.911 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.1 mtp -62.38 -36.15 81.37 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.331 0.493 . . . . 0.71 112.331 -174.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.678 ' O ' ' HG3' ' A' 1862 ' ' LYS . 28.5 m -63.89 -30.51 50.17 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 C-N-CA 120.355 -0.538 . . . . 0.29 110.308 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -77.05 -43.63 33.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 3.02 110.167 178.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.459 ' HB ' ' CD2' ' A' 1896 ' ' LEU . 4.2 m -63.7 -35.01 79.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.023 -0.535 . . . . 0.35 110.925 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.545 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.74 -43.6 92.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.25 110.529 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.678 ' HG3' ' O ' ' A' 1858 ' ' VAL . 60.6 mttm -62.62 -34.17 76.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.052 0.454 . . . . 1.31 110.148 175.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.06 89.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.608 -0.724 . . . . 0.41 111.331 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.827 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -72.39 -28.59 28.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.248 -0.581 . . . . 0.28 109.95 178.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.633 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -66.36 -41.0 90.14 Favored 'General case' 0 N--CA 1.457 -0.093 0 CA-C-N 116.1 -0.5 . . . . 0.2 111.308 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.428 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.8 p -73.21 -24.98 21.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.46 -0.496 . . . . 0.73 110.305 178.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.59 ' O ' ' HG3' ' A' 1871 ' ' MET . 89.6 m -69.19 -53.98 17.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.385 -0.371 . . . . 0.25 110.676 174.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.638 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.4 p -61.48 -40.88 87.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.595 0.236 . . . . 0.28 111.21 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.428 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.2 -26.51 67.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.076 0.465 . . . . 0.91 109.951 179.365 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' 1869 ' ' GLN . 8.7 tp10 -77.96 -38.2 45.72 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 109.754 -0.462 . . . . 0.57 109.754 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.59 ' HG3' ' O ' ' A' 1867 ' ' THR . 85.4 mtp -61.35 -46.84 88.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.568 -0.287 . . . . 1.25 110.918 -176.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 7.5 p -61.27 -37.25 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.446 0.641 . . . . 0.59 110.769 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 78.7 m -75.25 -45.64 38.82 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.358 -0.837 . . . . 0.44 110.977 -178.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.786 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -65.66 -31.32 72.28 Favored 'General case' 0 C--O 1.215 -0.726 0 CA-C-N 116.229 -0.441 . . . . 1.4 111.377 179.538 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 22.6 t -60.51 -24.67 65.52 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.077 0.465 . . . . 1.11 110.719 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -81.11 -38.53 27.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.946 -0.57 . . . . 0.76 111.387 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 37.6 p -99.66 -41.7 7.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.453 0.538 . . . . 1.32 112.453 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.2 t -148.55 94.13 4.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-O 120.841 0.353 . . . . 1.17 110.636 -173.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.456 ' HB3' ' CD1' ' A' 1937 ' ' LEU . 23.7 Cg_exo -64.92 -13.11 37.74 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.65 2.233 . . . . 0.67 111.606 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -72.33 -25.47 61.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.775 -0.648 . . . . 2.24 110.447 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' 1885 ' ' LEU . 42.8 mm-40 -78.53 -15.3 58.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.805 -0.634 . . . . 1.89 110.991 179.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.437 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 94.2 mt -63.72 -30.67 71.74 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 0.34 111.666 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -67.14 -56.35 12.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.509 -0.853 . . . . 0.38 113.028 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' 1881 ' ' GLU . 38.6 Cg_exo -62.24 -28.05 78.86 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.303 2.002 . . . . 0.58 112.584 176.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.576 HD11 ' HG3' ' A' 1874 ' ' LYS . 90.4 mt -74.59 -42.38 58.8 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.884 -0.326 . . . . 0.37 110.313 176.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . 0.41 ' C ' ' HE3' ' A' 1827 ' ' MET . . . -60.34 -38.91 85.27 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.122 -0.696 . . . . 0.36 109.122 173.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . 0.409 ' HA ' ' SD ' ' A' 1827 ' ' MET . 9.7 m120 -57.13 -47.69 80.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.174 -0.921 . . . . 1.43 110.365 174.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . 0.486 ' HG2' ' OD2' ' A' 1892 ' ' ASP . 49.3 tt0 -72.57 -43.32 63.56 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.608 -0.724 . . . . 1.07 111.304 -175.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 51.5 tp -57.82 -38.71 76.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.113 0.482 . . . . 0.25 109.773 177.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 67.2 m -64.58 -46.91 80.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.615 -0.721 . . . . 0.28 111.114 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 48.3 p -71.81 -44.47 63.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.934 0.397 . . . . 1.17 111.292 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.65 ' HB3' HG22 ' A' 1864 ' ' ILE . 69.4 m-20 -59.05 -43.88 91.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.793 -0.64 . . . . 0.8 110.634 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 77.6 t80 -59.77 -41.39 90.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.158 -0.474 . . . . 0.31 110.784 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.55 -35.93 75.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.971 -0.633 . . . . 0.31 112.333 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -68.75 -37.8 79.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.005 0.431 . . . . 3.04 110.586 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.459 ' CD2' ' HB ' ' A' 1860 ' ' THR . 26.5 mt -66.1 -48.81 69.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.368 . . . . 0.86 110.523 174.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . 0.515 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -67.15 -25.94 66.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.777 -0.647 . . . . 0.49 112.426 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 11.7 p -82.06 -40.76 21.54 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.86 -0.336 . . . . 1.38 110.94 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.476 ' O ' ' HD2' ' A' 1902 ' ' PRO . 20.2 mt-30 -76.89 -24.94 52.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.36 -0.382 . . . . 1.56 111.774 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -66.36 -28.55 68.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.334 . . . . 0.34 111.811 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.824 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 58.4 mtpt -63.02 -59.04 13.51 Favored Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 116.267 -0.424 . . . . 2.27 111.192 -178.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.824 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 12.5 Cg_exo -69.5 -28.51 26.4 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.126 1.884 . . . . 0.6 112.222 178.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -58.91 -40.25 83.95 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.223 0.535 . . . . 0.39 110.457 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . 0.459 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -60.7 -47.24 87.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.375 -0.83 . . . . 0.46 111.779 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.752 HG21 ' HA2' ' A' 1844 ' ' GLY . 12.3 p -75.34 -26.37 18.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.411 -0.359 . . . . 1.26 111.419 -176.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -80.03 -16.67 54.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.121 0.486 . . . . 0.64 110.804 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.83 145.97 51.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.747 -0.66 . . . . 0.85 111.222 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.51 -62.91 1.53 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.905 -0.589 . . . . 2.67 111.09 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.832 ' HB2' HG12 ' A' 1912 ' ' ILE . 1.6 m-20 -81.28 139.68 35.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.216 -0.447 . . . . 2.18 109.911 -179.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -64.45 -36.9 85.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.479 -0.934 . . . . 2.24 108.479 174.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.8 mp0 -59.77 -38.39 81.7 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 115.266 -0.879 . . . . 2.49 110.68 177.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.832 HG12 ' HB2' ' A' 1909 ' ' ASN . 40.5 mm -66.49 -42.92 90.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.459 -0.337 . . . . 0.89 110.183 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -63.72 -44.58 96.11 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.618 -0.801 . . . . 0.51 111.612 176.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -62.82 -35.16 79.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.25 0.548 . . . . 0.46 110.666 176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.505 ' O ' ' HG2' ' A' 1919 ' ' ARG . 1.4 t-160 -65.01 -49.24 70.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.445 -0.798 . . . . 1.62 110.383 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' 1912 ' ' ILE . 84.9 mt -58.36 -54.13 36.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.4 111.16 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.6 ptpt -61.13 -37.26 82.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 1.36 111.346 -176.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 19.7 m170 -75.56 -26.14 57.69 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.979 0.363 . . . . 1.91 111.979 -177.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' 1915 ' ' HIS . 18.9 mmt180 -75.24 -33.62 61.34 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.921 -0.312 . . . . 2.55 110.881 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.568 ' HB ' HD13 ' A' 1838 ' ' LEU . 17.7 t -70.58 -22.58 23.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.911 -0.403 . . . . 0.35 109.911 176.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.1 mm-40 -60.31 -39.73 88.04 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.34 0.59 . . . . 1.22 109.468 172.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' 1919 ' ' ARG . 14.5 mm-40 -58.62 -46.95 85.95 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.109 -0.95 . . . . 1.49 109.939 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 1923 ' ' LEU . 18.5 mt -63.31 -38.11 89.9 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.509 -0.769 . . . . 0.67 110.576 176.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.78 -53.42 36.41 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.778 -0.725 . . . . 0.64 111.781 177.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -65.62 -43.8 88.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.737 0.303 . . . . 0.69 110.746 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.0 -52.71 35.13 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.903 -0.665 . . . . 0.25 112.864 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.416 ' O ' HG22 ' A' 1931 ' ' VAL . 78.8 m -61.51 -43.46 98.82 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.246 0.218 . . . . 1.22 111.138 -177.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 29.2 m -55.98 -47.36 77.84 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.072 0.463 . . . . 1.03 110.419 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -64.48 -36.05 82.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.81 -0.632 . . . . 0.28 111.282 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.615 HD12 HG21 ' A' 1957 ' ' VAL . 0.6 OUTLIER -67.88 -53.5 26.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.269 -0.423 . . . . 0.28 110.099 -179.44 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.552 ' O ' HG21 ' A' 1824 ' ' VAL . 27.3 m -64.27 -35.84 75.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.009 -0.541 . . . . 0.26 111.146 -177.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.6 m -57.65 -45.36 85.61 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.8 0.333 . . . . 0.8 110.751 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.554 ' HE2' ' HB3' ' A' 1949 ' ' GLU . 13.9 mptt -65.71 -40.97 92.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.27 111.18 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . 0.437 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -62.73 -35.06 78.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.499 -0.319 . . . . 0.3 111.52 -179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -60.47 -43.37 98.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.488 -0.863 . . . . 0.4 111.575 176.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -76.65 -29.51 56.43 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.809 0.338 . . . . 0.5 111.096 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' 1937 ' ' LEU . 1.5 tm? -71.74 -28.63 63.79 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.787 -0.449 . . . . 0.41 109.787 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -77.46 -26.68 51.66 Favored 'General case' 0 C--N 1.316 -0.878 0 C-N-CA 120.222 -0.591 . . . . 1.06 110.784 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.8 t -74.27 -27.68 60.86 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.316 -0.624 . . . . 1.43 109.316 175.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 19.6 m -142.3 71.47 22.06 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.785 -0.643 . . . . 0.8 109.868 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.52 ' HA ' HD13 ' A' 1937 ' ' LEU . 38.2 Cg_endo -68.11 -8.82 23.87 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.663 2.242 . . . . 0.69 111.624 -176.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 6.7 p -89.59 -15.72 32.18 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.649 -1.16 . . . . 1.54 111.259 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.4 117.94 20.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.088 0.47 . . . . 1.16 111.013 -174.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 49.5 t -75.28 -34.87 31.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.78 -0.645 . . . . 1.33 110.648 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 53.9 t80 -61.74 -48.88 78.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.838 -0.619 . . . . 1.91 110.862 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 21.6 m -65.27 -37.66 87.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.195 -0.457 . . . . 0.6 110.789 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.413 ' O ' HG13 ' A' 1951 ' ' ILE . 36.9 ttpt -65.6 -41.59 92.63 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.065 -0.346 . . . . 1.2 110.065 177.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' 1952 ' ' GLU . 26.1 ttpp -55.23 -47.57 75.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.496 . . . . 2.67 109.964 174.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.554 ' HB3' ' HE2' ' A' 1933 ' ' LYS . 24.0 mm-40 -61.18 -40.91 95.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.362 -0.835 . . . . 1.53 111.433 179.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.98 -41.62 95.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.63 -0.259 . . . . 0.31 110.72 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.516 ' O ' ' HG2' ' A' 1955 ' ' ARG . 83.7 mt -60.06 -42.34 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.816 0.341 . . . . 0.35 110.18 177.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' 1948 ' ' LYS . 19.2 mm-40 -65.48 -41.92 92.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 2.11 110.404 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' 1957 ' ' VAL . 85.3 m -56.21 -43.66 78.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.138 -0.483 . . . . 0.88 110.395 175.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.36 91.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.935 -0.575 . . . . 0.25 111.212 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' 1951 ' ' ILE . 22.5 mmm180 -58.63 -50.65 73.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.014 0.435 . . . . 3.21 110.409 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.55 ' O ' ' HG2' ' A' 1960 ' ' LYS . 45.2 mtt180 -58.21 -39.45 79.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 3.16 111.041 -177.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.638 ' HB ' HG21 ' A' 1868 ' ' VAL . 61.5 t -63.19 -54.5 32.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.3 110.7 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 21.0 t -60.28 -34.94 74.47 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.954 0.407 . . . . 1.13 110.502 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -60.45 -40.14 90.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.454 0.645 . . . . 1.86 111.268 176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' 1956 ' ' ARG . 28.0 mmtp -81.38 -27.21 34.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.073 -0.512 . . . . 0.65 111.439 -176.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.827 HG22 HD11 ' A' 1864 ' ' ILE . 42.8 t -53.7 -48.23 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.923 0.392 . . . . 0.27 110.379 176.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 2.8 m -58.26 -37.34 74.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.647 -0.706 . . . . 1.3 110.669 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 70.8 m80 -69.87 -42.13 73.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.005 -0.543 . . . . 1.11 110.81 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' 1960 ' ' LYS . 61.8 t -63.56 -46.76 94.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.418 -0.356 . . . . 0.35 110.453 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.446 HD21 ' HB3' ' A' 1861 ' ' ALA . 63.7 mt -57.53 -48.7 78.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 0.35 111.012 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.31 -24.81 65.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.099 -0.501 . . . . 0.4 111.801 -177.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -66.88 -26.71 67.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.516 -0.311 . . . . 0.46 111.05 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' 1968 ' ' LEU . 3.6 mm? -78.11 -48.08 16.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.574 -0.285 . . . . 0.5 111.198 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 17.6 mp0 -69.65 -15.88 63.27 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.687 0.279 . . . . 1.7 111.157 -178.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -75.85 -19.11 59.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.144 0.497 . . . . 0.93 110.481 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -88.18 48.57 3.64 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.847 -0.615 . . . . 2.0 112.814 -177.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 14.0 m120 -81.05 159.79 24.7 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.017 -0.364 . . . . 5.01 110.017 175.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 119.113 -0.47 . . . . 7.5 110.803 -179.041 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.967 -0.453 . . . . 21.55 111.967 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 10.8 tt -61.71 133.58 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.598 0.237 . . . . 20.33 110.634 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 13.0 m-20 68.77 99.42 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.283 0 CA-C-N 115.662 -0.699 . . . . 19.2 110.448 -174.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.38 133.48 30.43 Favored 'Trans proline' 0 C--O 1.235 0.372 0 C-N-CA 123.018 2.479 . . . . 18.2 112.562 -177.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 29.1 t80 64.08 52.51 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.601 -0.727 . . . . 20.33 111.006 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 26.8 m -94.29 -24.71 17.32 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.861 -0.792 . . . . 16.69 108.861 171.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 4.7 m-20 68.67 -69.96 0.14 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.612 -1.176 . . . . 16.15 113.133 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -160.89 164.37 31.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.774 0.321 . . . . 14.41 111.72 -170.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . 59.81 38.16 21.58 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.277 -0.874 . . . . 12.08 112.363 171.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -74.86 138.65 42.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.969 0.414 . . . . 10.45 110.325 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 57.4 m -93.77 107.3 19.2 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.868 -0.605 . . . . 8.54 110.726 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -79.15 88.54 4.86 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.066 0.46 . . . . 6.8 110.009 176.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . 0.41 ' HB1' HG12 ' A' 1823 ' ' VAL . . . -86.1 -46.21 10.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.938 -0.573 . . . . 4.72 110.858 -176.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 68.69 33.51 76.18 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.779 -0.724 . . . . 3.52 111.656 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . 0.942 HG21 ' HA2' ' A' 1935 ' ' GLY . 6.0 p -140.57 171.77 12.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.633 -0.506 . . . . 2.13 109.633 -177.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.731 HG21 ' HB ' ' A' 1931 ' ' VAL . 21.8 t -43.9 103.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 123.79 0.836 . . . . 1.83 112.431 178.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -149.47 -1.36 0.38 Allowed Glycine 0 C--N 1.319 -0.373 0 CA-C-N 115.354 -0.839 . . . . 2.1 112.11 172.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -122.2 -47.27 0.28 Allowed Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.824 -0.703 . . . . 0.91 111.859 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.692 ' HE2' HG22 ' A' 1824 ' ' VAL . 25.0 ptt? -76.75 -11.93 59.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.638 0.256 . . . . 1.1 111.422 -177.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . 0.621 ' HB ' HG12 ' A' 1824 ' ' VAL . 7.4 p -64.05 -37.15 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.147 0.498 . . . . 0.74 109.729 175.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.11 -40.44 89.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.455 -0.793 . . . . 0.87 110.698 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 35.8 m -57.33 -32.98 67.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.392 -0.822 . . . . 0.97 111.422 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.439 HG23 ' CE2' ' A' 1893 ' ' TYR . 57.5 mt -72.73 -44.15 60.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.011 0.434 . . . . 0.32 110.386 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 6.3 m -64.29 -39.49 94.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.168 0.509 . . . . 0.61 110.321 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -59.94 -41.81 92.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.923 -0.581 . . . . 2.49 110.58 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -58.76 -34.8 71.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.796 -0.638 . . . . 0.34 111.133 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . 0.439 ' HA ' HE22 ' A' 1921 ' ' GLN . 55.6 mt -62.94 -48.19 89.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.861 -0.608 . . . . 0.49 110.551 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -71.95 -41.07 68.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.981 -0.554 . . . . 0.72 111.646 -176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.8 pt20 -62.45 -30.68 71.42 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.772 0.286 . . . . 1.0 111.772 -174.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.49 HD12 HE21 ' A' 1921 ' ' GLN . 61.8 mt -67.89 -31.72 71.71 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.812 0.339 . . . . 0.79 111.033 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 22.2 t70 -87.91 -40.37 14.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.478 -0.783 . . . . 1.79 110.379 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -57.13 -50.45 72.75 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.608 -0.724 . . . . 3.25 110.134 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . 0.54 ' O ' ' HE2' ' A' 1901 ' ' LYS . . . -119.34 92.44 0.53 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.233 -0.747 . . . . 1.73 111.233 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.09 -41.77 26.6 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.288 1.992 . . . . 2.43 112.041 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . 0.493 ' HA ' HG22 ' A' 1905 ' ' VAL . 23.0 ptm -96.85 -159.31 0.72 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.561 -0.745 . . . . 5.03 111.314 -175.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 176.42 -160.77 28.59 Favored Glycine 0 N--CA 1.44 -1.061 0 N-CA-C 111.016 -0.833 . . . . 1.86 111.016 -173.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -117.71 78.51 12.09 Favored Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 109.828 -0.434 . . . . 3.08 109.828 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.645 ' HG3' ' HB ' ' A' 1905 ' ' VAL . 12.0 Cg_endo -57.82 112.57 1.19 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.624 2.216 . . . . 1.21 111.657 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -82.68 -5.44 58.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.338 -0.846 . . . . 2.82 110.181 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -151.71 -173.46 21.49 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.622 -0.717 . . . . 1.14 111.429 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 33.7 t -80.16 168.0 19.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.794 0.297 . . . . 1.64 110.317 -177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 84.9 t80 -61.08 -34.37 74.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.68 110.366 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 3.8 p -60.47 -36.18 67.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 115.943 -0.571 . . . . 0.79 111.243 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 34.4 t70 -69.33 -52.45 27.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 1.71 110.092 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -61.59 -39.42 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.888 -0.596 . . . . 1.07 110.951 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.692 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 53.0 tt0 -54.88 -52.54 62.55 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 0.99 110.802 177.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.512 ' O ' ' HG3' ' A' 1859 ' ' ARG . 26.9 m -61.19 -43.26 99.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 1.46 110.846 -178.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 13.5 m -66.71 -39.53 88.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.773 0.32 . . . . 0.42 110.998 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.8 mmm -64.94 -51.07 63.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.586 -0.279 . . . . 0.71 111.392 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.713 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.2 m -61.3 -40.64 86.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.704 -0.399 . . . . 0.29 111.479 -176.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' 1855 ' ' THR . 22.6 mtm180 -63.33 -43.24 98.32 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 120.824 0.345 . . . . 3.02 110.615 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.751 ' HB ' HD21 ' A' 1896 ' ' LEU . 25.4 m -69.81 -33.49 72.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.836 -0.62 . . . . 0.35 110.598 -178.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.572 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.58 -42.21 95.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.361 -0.381 . . . . 0.25 110.248 175.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.713 ' HG3' ' O ' ' A' 1858 ' ' VAL . 77.6 mttt -66.56 -32.52 73.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.042 0.449 . . . . 1.31 109.857 175.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.99 -37.33 85.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.714 -0.675 . . . . 0.41 111.288 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.681 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -79.57 -26.07 12.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 C-N-CA 120.403 -0.519 . . . . 0.28 109.749 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.835 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.52 -35.55 77.62 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.892 -0.594 . . . . 0.2 111.464 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.443 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 11.8 p -74.11 -26.57 21.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.18 0.514 . . . . 0.73 110.171 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 59.4 m -74.26 -46.51 40.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.814 -0.63 . . . . 0.25 110.934 176.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.906 HG21 ' HB ' ' A' 1957 ' ' VAL . 4.3 p -65.85 -35.64 75.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 0.28 110.754 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.501 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -70.27 -25.7 63.47 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.757 -0.46 . . . . 0.91 109.757 177.102 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' 1869 ' ' GLN . 10.1 tp10 -77.49 -31.3 53.51 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.32 -0.4 . . . . 0.57 110.14 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.63 ' SD ' HD22 ' A' 1882 ' ' LEU . 4.3 mmt -55.05 -45.86 75.29 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.924 -0.58 . . . . 1.25 111.645 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.513 HG23 HG23 ' A' 1951 ' ' ILE . 14.2 p -62.93 -38.79 82.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.275 0.559 . . . . 0.59 110.988 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 89.8 m -76.1 -43.78 41.72 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.584 -0.735 . . . . 0.44 111.196 -177.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.956 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -68.2 -45.67 72.73 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.342 -0.39 . . . . 1.4 111.977 -177.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 22.4 p -56.92 -27.79 61.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.767 0.318 . . . . 1.11 111.853 -175.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -65.91 -52.55 49.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.112 -0.495 . . . . 0.76 111.769 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 6.1 t -109.69 -26.91 9.63 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.967 0.728 . . . . 1.32 112.967 -172.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 15.0 m -135.29 79.06 50.31 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 122.208 -0.308 . . . . 1.17 110.905 -173.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.32 -28.43 63.54 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.852 2.368 . . . . 0.67 113.348 -177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -73.61 -17.13 61.21 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.526 -0.47 . . . . 2.24 110.864 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -77.59 -10.42 59.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.89 111.3 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.63 HD22 ' SD ' ' A' 1871 ' ' MET . 86.6 mt -70.99 -25.36 62.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.134 -0.485 . . . . 0.34 110.778 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . 0.406 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.51 -55.71 23.81 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.786 -0.721 . . . . 0.38 113.063 -179.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' 1883 ' ' GLY . 10.8 Cg_endo -58.39 -31.39 93.87 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.258 1.972 . . . . 0.58 112.351 175.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.65 HD11 ' HG3' ' A' 1874 ' ' LYS . 84.1 mt -73.92 -42.27 60.86 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 120.7 0.285 . . . . 0.37 110.621 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . 0.454 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.23 -35.56 73.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.222 0.535 . . . . 0.36 109.595 175.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -66.83 -50.25 63.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.351 -0.84 . . . . 1.43 111.121 176.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -64.84 -47.42 78.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.722 -0.672 . . . . 1.07 111.408 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.512 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.4 tp -54.62 -43.69 72.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.105 0.478 . . . . 0.25 110.113 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . 0.498 HG21 ' HB2' ' A' 1827 ' ' MET . 66.0 m -66.74 -47.04 73.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.478 -0.783 . . . . 0.28 111.502 178.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 3.5 t -68.1 -42.09 80.81 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.254 -0.43 . . . . 1.17 111.122 -170.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -73.34 -34.52 65.7 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.952 -0.299 . . . . 0.8 111.157 178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 50.7 t80 -59.56 -40.44 87.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.866 0.365 . . . . 0.31 110.276 175.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.86 -30.81 53.91 Favored Glycine 0 CA--C 1.521 0.409 0 CA-C-N 115.837 -0.62 . . . . 0.31 112.771 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 62.9 mtp180 -68.84 -49.52 57.7 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 109.928 -0.397 . . . . 3.04 109.928 178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.751 HD21 ' HB ' ' A' 1860 ' ' THR . 69.2 mt -57.29 -43.73 83.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.88 -0.6 . . . . 0.86 110.318 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . 0.486 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -63.43 -25.71 68.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.497 -0.774 . . . . 0.49 111.687 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 25.4 m -86.67 -47.11 9.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.814 0.34 . . . . 1.38 110.512 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.93 -27.39 66.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 1.56 111.895 -176.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -61.26 -25.3 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.023 0.379 . . . . 0.34 112.023 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.797 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 10.0 mtpm? -72.39 -59.68 2.47 Favored Pre-proline 0 CA--C 1.537 0.465 0 CA-C-O 119.496 -0.288 . . . . 2.27 111.223 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.797 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 34.9 Cg_exo -62.81 -32.48 77.67 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.972 1.781 . . . . 0.6 112.411 176.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.64 91.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.976 0.417 . . . . 0.39 110.686 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . 0.407 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -62.48 -32.85 73.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.852 -0.613 . . . . 0.46 111.045 178.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.645 ' HB ' ' HG3' ' A' 1846 ' ' PRO . 2.0 t -76.62 -39.89 32.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.028 -0.533 . . . . 1.26 110.818 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -66.13 -24.03 66.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.685 -0.689 . . . . 0.64 110.857 -177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.02 143.64 54.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.939 -0.573 . . . . 0.85 110.293 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -80.37 -30.21 37.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.864 0.364 . . . . 2.67 111.359 -175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.481 ' HB3' HG12 ' A' 1912 ' ' ILE . 58.8 t30 -106.43 147.01 29.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.919 0.39 . . . . 2.18 111.03 -175.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.76 -53.74 51.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.512 -0.767 . . . . 2.24 111.465 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.573 ' O ' ' HB2' ' A' 1915 ' ' HIS . 1.7 mp0 -58.11 -29.2 65.3 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.978 -0.555 . . . . 2.49 111.392 -176.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.481 HG12 ' HB3' ' A' 1909 ' ' ASN . 48.9 mm -67.97 -46.0 82.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.58 0.228 . . . . 0.89 110.537 -178.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -65.25 -40.74 96.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.68 -0.771 . . . . 0.51 111.709 178.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.98 89.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.169 0.509 . . . . 0.46 110.443 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' 1911 ' ' GLU . 5.3 t-80 -61.47 -45.46 94.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.438 -0.801 . . . . 1.62 110.93 -177.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.545 ' O ' HG23 ' A' 1920 ' ' VAL . 72.8 mt -59.53 -54.72 30.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.4 110.943 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.625 ' O ' ' HG2' ' A' 1921 ' ' GLN . 1.3 ptpm? -65.34 -32.34 73.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 1.36 111.259 -176.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 7.9 m170 -69.58 -32.67 71.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.656 -0.247 . . . . 1.91 111.557 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.851 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 20.5 mmt180 -78.11 -25.23 47.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.821 0.343 . . . . 2.55 110.663 178.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' 1916 ' ' ILE . 48.6 t -72.31 -26.75 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.207 0.527 . . . . 0.35 109.795 174.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.625 ' HG2' ' O ' ' A' 1917 ' ' LYS . 20.5 mm-40 -61.33 -30.17 70.34 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.851 -0.613 . . . . 1.22 110.024 174.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.587 ' HG3' ' HA ' ' A' 1919 ' ' ARG . 2.2 mt-10 -63.81 -47.76 79.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.546 -0.752 . . . . 1.49 110.489 -178.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.689 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 15.0 mt -70.12 -27.16 64.35 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 109.281 -0.637 . . . . 0.67 109.281 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . 0.411 ' C ' HD11 ' A' 1835 ' ' ILE . . . -56.18 -32.64 60.25 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.76 -0.733 . . . . 0.64 111.859 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -93.91 -48.48 6.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.691 0.281 . . . . 0.69 110.368 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -62.03 -52.86 47.13 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 121.155 -0.545 . . . . 0.25 113.096 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.689 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 91.3 m -64.68 -38.09 89.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.7 0.286 . . . . 1.22 110.551 -179.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 11.8 t -63.04 -46.37 87.85 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.972 0.415 . . . . 1.03 110.244 177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.48 97.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.006 -0.543 . . . . 0.28 110.803 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.456 HD12 HG21 ' A' 1957 ' ' VAL . 0.4 OUTLIER -61.96 -53.16 59.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.862 -0.608 . . . . 0.28 110.711 -178.302 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.731 ' HB ' HG21 ' A' 1824 ' ' VAL . 30.2 m -66.17 -31.78 55.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.396 -0.365 . . . . 0.26 110.968 -177.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 82.2 m -69.27 -42.72 75.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.269 -0.423 . . . . 0.8 110.675 177.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.749 ' HE3' HG23 ' A' 1946 ' ' THR . 40.6 tptt -66.64 -38.02 86.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.505 -0.316 . . . . 1.27 110.346 -178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -55.47 -41.56 73.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.3 111.116 175.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . 0.942 ' HA2' HG21 ' A' 1823 ' ' VAL . . . -54.98 -40.97 75.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.219 -0.515 . . . . 0.4 112.664 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -77.58 -34.83 53.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.775 0.322 . . . . 0.5 110.779 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.1 tm? -69.82 -36.31 75.51 Favored 'General case' 0 C--O 1.217 -0.65 0 CA-C-N 116.154 -0.476 . . . . 0.41 110.054 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -69.56 -26.1 64.32 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.807 -0.357 . . . . 1.06 110.981 177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 36.1 t -77.2 -19.19 57.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.198 -0.456 . . . . 1.43 110.313 176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 43.0 m -149.25 70.15 9.85 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.897 0.38 . . . . 0.8 110.075 177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -64.83 -16.01 53.2 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.974 2.449 . . . . 0.69 112.912 -173.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 33.4 m -96.15 10.37 37.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.856 -0.611 . . . . 1.54 111.345 -176.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -94.14 121.9 36.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.91 0.386 . . . . 1.16 110.385 179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 18.3 m -69.58 -40.59 79.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.074 -0.512 . . . . 1.33 112.198 -175.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -67.88 -49.52 61.54 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.83 -0.168 . . . . 1.91 111.365 -178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.749 HG23 ' HE3' ' A' 1933 ' ' LYS . 27.2 m -59.68 -36.72 77.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.945 0.402 . . . . 0.6 110.691 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -70.95 -44.67 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.006 -0.543 . . . . 1.2 110.584 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' 1952 ' ' GLU . 59.6 tttp -62.56 -42.4 99.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.52 -0.309 . . . . 2.67 110.827 178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.531 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 47.0 mt-10 -58.56 -36.16 73.47 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 1.53 110.999 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.8 tt -69.79 -36.37 75.64 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.959 -0.385 . . . . 0.31 109.959 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.513 HG23 HG23 ' A' 1872 ' ' VAL . 86.6 mt -61.19 -43.01 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.35 109.816 173.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.657 ' O ' ' HG3' ' A' 1956 ' ' ARG . 65.4 mm-40 -63.0 -39.5 94.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.846 -0.616 . . . . 2.11 109.92 175.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' 1957 ' ' VAL . 74.7 m -60.72 -43.94 97.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.437 -0.347 . . . . 0.88 110.611 176.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.19 -52.11 65.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.25 111.597 -177.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.553 ' O ' ' HG3' ' A' 1959 ' ' GLU . 14.2 ptm180 -58.14 -34.27 70.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.672 -0.24 . . . . 3.21 111.514 -176.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' 1952 ' ' GLU . 18.8 mtm180 -68.41 -41.73 80.0 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.732 0.301 . . . . 3.16 110.784 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.906 ' HB ' HG21 ' A' 1868 ' ' VAL . 59.4 t -63.42 -45.32 98.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.3 110.333 -179.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 35.5 m -57.68 -34.87 69.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.614 . . . . 1.13 111.224 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' 1955 ' ' ARG . 45.0 mt-10 -64.39 -39.09 93.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.333 0.587 . . . . 1.86 110.316 176.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.1 mmtt -73.43 -31.99 64.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.593 -0.731 . . . . 0.65 111.027 -175.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.835 HG11 ' HB2' ' A' 1865 ' ' ALA . 46.5 t -57.23 -44.88 84.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.774 0.321 . . . . 0.27 110.737 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 8.8 t -59.91 -37.81 80.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 1.3 110.226 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.851 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 63.7 m80 -67.77 -40.52 84.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.942 -0.572 . . . . 1.11 111.024 178.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' 1960 ' ' LYS . 59.9 t -63.89 -47.72 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.35 110.074 177.237 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.04 -50.21 73.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.738 -0.665 . . . . 0.35 110.912 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.63 -24.32 67.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.947 -0.569 . . . . 0.4 111.774 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -63.72 -30.15 71.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.36 -0.382 . . . . 0.46 111.072 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.692 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -74.53 -46.89 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.5 111.44 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . 0.579 ' HA ' ' O ' ' A' 1972 ' ' ASN . 17.9 mp0 -69.36 -15.49 63.33 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.893 0.378 . . . . 1.7 111.165 -178.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -74.67 -20.55 59.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 0.93 110.302 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -99.04 -44.19 2.45 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.042 -0.599 . . . . 2.0 112.163 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . 0.579 ' O ' ' HA ' ' A' 1969 ' ' GLN . 2.9 t-20 -147.93 156.6 42.86 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.367 -0.605 . . . . 5.01 109.367 177.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 61.7 mtm-85 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.685 -0.674 . . . . 7.5 110.547 -177.428 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.644 0 N-CA-C 111.717 -0.553 . . . . 21.55 111.717 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 8.6 pt -129.5 96.41 3.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.196 0.522 . . . . 20.33 111.635 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -62.77 133.69 95.18 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.099 -0.704 . . . . 19.2 109.099 170.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -51.82 100.12 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.732 2.288 . . . . 18.2 113.049 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -104.31 -50.88 3.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.343 0.592 . . . . 20.33 110.016 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 9.2 p -92.36 112.32 24.22 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.498 -0.774 . . . . 16.69 111.851 -174.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -130.56 18.68 5.24 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.153 -1.055 . . . . 16.15 108.153 173.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -79.93 136.24 36.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.586 -1.188 . . . . 14.41 110.541 -170.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . 62.1 26.34 15.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.601 . . . . 12.08 111.805 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -76.56 -40.55 49.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.141 0.496 . . . . 10.45 109.754 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 24.7 m -136.11 89.12 2.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.696 -0.684 . . . . 8.54 110.36 176.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -119.4 6.65 11.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.093 -0.503 . . . . 6.8 110.567 177.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . 72.29 -37.19 0.38 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.909 0.884 . . . . 4.72 112.293 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 103.93 -8.02 49.58 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.367 -0.693 . . . . 3.52 111.367 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 17.3 m -63.14 -28.24 44.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.551 -0.324 . . . . 2.13 111.455 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.533 ' HA ' ' SD ' ' A' 1827 ' ' MET . 17.8 m -116.1 17.04 7.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.063 0.459 . . . . 1.83 111.212 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -68.88 129.59 24.35 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 110.741 -0.944 . . . . 2.1 110.741 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 91.04 -47.11 2.91 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.758 -0.937 . . . . 0.91 110.758 -172.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.533 ' SD ' ' HA ' ' A' 1824 ' ' VAL . 66.0 mtp -57.73 -49.08 77.75 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.265 0.555 . . . . 1.1 110.284 175.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.3 p -63.59 -27.32 42.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.507 -0.769 . . . . 0.74 110.67 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.28 -40.21 62.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.87 110.267 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 32.2 m -58.19 -40.62 82.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.97 110.288 176.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.521 HG23 ' CE2' ' A' 1893 ' ' TYR . 66.2 mt -64.9 -47.42 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.707 -0.678 . . . . 0.32 110.649 177.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 27.4 m -62.79 -39.07 93.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.056 -0.52 . . . . 0.61 110.928 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -61.87 -44.64 96.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 2.49 110.354 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.559 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -55.71 -41.33 73.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.954 -0.566 . . . . 0.34 111.317 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.65 -48.37 80.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 0.49 111.083 177.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -77.19 -33.88 56.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.963 -0.562 . . . . 0.72 111.792 -174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . 0.559 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 14.9 pt20 -68.44 -28.88 67.44 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 121.224 -0.191 . . . . 1.0 111.058 -178.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 1834 ' ' ALA . 78.8 mt -62.57 -34.57 77.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.021 0.439 . . . . 0.79 111.04 -177.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 26.3 t70 -72.3 -26.91 62.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.728 -0.669 . . . . 1.79 110.066 178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -103.61 39.15 1.65 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.564 -0.744 . . . . 3.25 110.074 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . 0.536 ' HA2' ' HD2' ' A' 1901 ' ' LYS . . . -65.52 177.19 13.08 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.984 -0.627 . . . . 1.73 112.265 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . 0.622 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 61.3 Cg_exo -51.01 136.92 44.73 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.833 2.355 . . . . 2.43 111.934 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 88.0 mtp -67.34 -47.6 70.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.096 -0.502 . . . . 5.03 110.034 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -169.42 35.28 0.18 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.79 -0.719 . . . . 1.86 112.454 175.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -129.32 87.19 54.32 Favored Pre-proline 0 C--N 1.326 -0.421 0 C-N-CA 120.64 -0.424 . . . . 3.08 111.881 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.607 ' HG3' HG13 ' A' 1905 ' ' VAL . 1.5 Cg_endo -84.8 161.69 12.14 Favored 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 122.845 2.364 . . . . 1.21 110.623 165.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -90.42 -27.56 19.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.4 0.619 . . . . 2.82 109.64 179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -133.07 -159.95 9.32 Favored Glycine 0 N--CA 1.446 -0.692 0 N-CA-C 111.083 -0.807 . . . . 1.14 111.083 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 8.4 t -100.9 179.7 4.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.477 -0.564 . . . . 1.64 109.477 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.447 ' HB2' ' O ' ' A' 1906 ' ' ALA . 60.2 t80 -60.77 -38.16 84.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.76 -0.2 . . . . 0.68 111.178 -176.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.3 p -59.07 -38.15 72.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-O 120.829 0.347 . . . . 0.79 111.364 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -65.83 -46.41 78.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 1.71 110.673 -178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.467 ' CE1' ' HB2' ' A' 1902 ' ' PRO . 78.8 m-85 -76.06 -37.57 58.12 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.826 -0.625 . . . . 1.07 111.29 -178.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.66 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 29.4 tt0 -56.56 -54.53 44.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.661 0.267 . . . . 0.99 111.039 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.495 ' O ' ' HG3' ' A' 1859 ' ' ARG . 17.1 p -59.35 -41.0 88.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.935 -0.575 . . . . 1.46 111.051 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 21.1 m -70.47 -40.35 73.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.318 -0.401 . . . . 0.42 111.007 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.472 ' SD ' ' HA ' ' A' 1900 ' ' ALA . 47.8 mtp -63.87 -50.79 67.42 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 111.723 0.268 . . . . 0.71 111.723 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.74 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.3 m -59.89 -33.16 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.712 -0.395 . . . . 0.29 110.806 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' 1855 ' ' THR . 62.3 mtp180 -67.79 -45.06 75.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.795 0.331 . . . . 3.02 110.727 178.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.68 ' HB ' HD23 ' A' 1896 ' ' LEU . 6.4 m -70.29 -33.75 71.93 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.946 0.403 . . . . 0.35 110.587 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.505 ' HB3' HD21 ' A' 1965 ' ' LEU . . . -62.22 -46.08 90.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.25 110.627 176.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.74 ' HG3' ' O ' ' A' 1858 ' ' VAL . 83.0 mttt -61.94 -31.33 71.64 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.953 0.406 . . . . 1.31 110.478 177.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.57 -41.33 93.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.41 111.149 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.635 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -76.78 -26.83 16.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.627 -0.429 . . . . 0.28 110.117 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.781 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -69.05 -42.62 76.04 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.183 -0.462 . . . . 0.2 111.093 178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.481 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.6 p -71.69 -23.97 22.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.213 0.53 . . . . 0.73 110.004 177.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 97.1 m -67.39 -52.34 41.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.883 -0.599 . . . . 0.25 110.563 173.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.773 HG21 ' HB ' ' A' 1957 ' ' VAL . 4.4 p -65.99 -34.95 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.432 -0.349 . . . . 0.28 111.416 -177.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.481 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.77 -29.1 68.97 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.758 -0.46 . . . . 0.91 109.758 177.191 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -77.8 -35.83 50.98 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 116.226 -0.443 . . . . 0.57 109.938 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.497 ' SD ' ' HB2' ' A' 1885 ' ' LEU . 35.5 mmm -58.56 -46.81 86.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.366 -0.379 . . . . 1.25 111.385 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.42 ' CG2' HG23 ' A' 1951 ' ' ILE . 7.3 p -62.69 -32.29 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.532 0.682 . . . . 0.59 110.752 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 93.8 m -80.38 -44.59 19.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.201 -0.909 . . . . 0.44 110.733 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.66 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 7.1 mmpt? -67.13 -37.93 84.68 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.975 -0.557 . . . . 1.4 111.211 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 24.7 t -54.53 -24.41 20.68 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.808 0.299 . . . . 1.11 111.808 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -75.54 -52.2 11.17 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.891 0.33 . . . . 0.76 111.891 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 3.8 t -108.12 -16.76 14.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.48 0.548 . . . . 1.32 112.48 -169.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 4.1 m -146.44 75.38 12.43 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.78 -0.452 . . . . 1.17 109.78 -177.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -72.01 -13.6 28.93 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.488 2.125 . . . . 0.67 112.816 -174.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . 0.504 ' HA ' ' HG2' ' A' 1938 ' ' GLN . 0.1 OUTLIER -92.74 -20.23 20.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.949 0.404 . . . . 2.24 110.271 179.355 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -71.14 -9.44 58.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.035 0.445 . . . . 1.89 110.834 173.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.42 -25.45 68.02 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.76 -0.655 . . . . 0.34 110.365 173.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.02 -55.51 26.14 Favored Glycine 0 CA--C 1.522 0.52 0 C-N-CA 120.985 -0.626 . . . . 0.38 113.37 -177.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' 1883 ' ' GLY . 12.9 Cg_endo -59.83 -37.04 88.9 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.239 1.959 . . . . 0.58 112.47 175.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.62 HD11 ' HG3' ' A' 1874 ' ' LYS . 72.5 mt -71.98 -44.27 63.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.564 -0.289 . . . . 0.37 110.753 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.54 68.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.113 0.483 . . . . 0.36 109.869 174.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . 0.416 ' HA ' ' HE3' ' A' 1827 ' ' MET . 10.0 t-20 -71.57 -37.27 71.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.96 -0.564 . . . . 1.43 110.784 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -69.77 -44.3 70.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.353 -0.385 . . . . 1.07 110.158 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.515 HD12 ' HB ' ' A' 1864 ' ' ILE . 45.2 tp -58.56 -33.52 70.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.943 -0.571 . . . . 0.25 110.134 176.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . 0.444 HG21 ' HB3' ' A' 1827 ' ' MET . 54.3 m -74.85 -51.45 13.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.646 -0.706 . . . . 0.28 111.433 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' 1895 ' ' ARG . 16.1 p -66.58 -49.99 64.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.143 0.497 . . . . 1.17 110.911 -173.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.486 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 6.1 m-20 -64.1 -28.84 70.05 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.543 -0.753 . . . . 0.8 111.532 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 63.8 t80 -66.06 -45.01 82.86 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.51 -0.476 . . . . 0.31 109.916 174.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.57 -39.89 91.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.791 -0.718 . . . . 0.31 111.727 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.486 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 94.0 mtt180 -63.98 -50.69 67.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.206 0.527 . . . . 3.04 110.302 175.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.68 HD23 ' HB ' ' A' 1860 ' ' THR . 1.3 tm? -62.55 -40.1 95.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.542 -0.753 . . . . 0.86 110.997 -177.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -69.49 -37.16 77.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.778 0.323 . . . . 0.49 111.098 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 9.5 t -64.38 -35.94 82.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.047 0.451 . . . . 1.38 110.03 178.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -77.18 -24.81 51.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.734 -0.667 . . . . 1.56 111.051 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . 0.472 ' HA ' ' SD ' ' A' 1857 ' ' MET . . . -68.98 -36.5 77.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.536 . . . . 0.34 112.09 -175.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.827 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 42.0 mtmt -59.65 -58.17 21.41 Favored Pre-proline 0 CA--C 1.536 0.417 0 C-N-CA 121.132 -0.227 . . . . 2.27 111.526 -178.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.827 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 21.7 Cg_exo -65.42 -29.14 53.92 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 122.128 1.886 . . . . 0.6 112.375 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' 1853 ' ' TYR . . . -62.19 -46.02 90.81 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.149 0.5 . . . . 0.39 110.358 176.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . 0.466 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -60.75 -48.67 80.75 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.239 -0.891 . . . . 0.46 111.493 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.607 HG13 ' HG3' ' A' 1846 ' ' PRO . 12.2 p -70.4 -24.36 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.743 0.306 . . . . 1.26 111.33 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -92.73 3.61 55.29 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 122.342 -0.224 . . . . 0.64 111.504 -178.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.38 159.11 34.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.018 0.437 . . . . 0.85 111.347 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.01 -42.87 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.867 -0.606 . . . . 2.67 110.632 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.791 ' HB2' HG12 ' A' 1912 ' ' ILE . 61.8 m-20 -117.07 141.15 48.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.048 -0.524 . . . . 2.18 110.08 -178.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -57.74 -35.56 70.87 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.49 0.494 . . . . 2.24 110.744 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -65.11 -37.32 87.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.977 -0.556 . . . . 2.49 110.87 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.791 HG12 ' HB2' ' A' 1909 ' ' ASN . 51.6 mm -65.71 -44.66 93.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.648 -0.501 . . . . 0.89 109.648 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.466 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.26 -47.2 92.25 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.822 -0.704 . . . . 0.51 111.72 176.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.94 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.274 0.559 . . . . 0.46 110.342 175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.8 t-80 -63.66 -40.49 96.98 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.314 -0.857 . . . . 1.62 110.627 -177.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' 1920 ' ' VAL . 82.3 mt -59.51 -53.37 49.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.719 0.295 . . . . 0.4 110.385 176.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.554 ' O ' ' HG2' ' A' 1921 ' ' GLN . 92.9 mttt -54.86 -48.33 73.06 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.861 -0.609 . . . . 1.36 111.008 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -71.06 -28.48 64.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.842 -0.617 . . . . 1.91 112.185 -174.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.694 ' HB3' HG22 ' A' 1964 ' ' VAL . 16.8 mmm180 -70.88 -36.82 72.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.723 0.297 . . . . 2.55 110.762 177.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' 1916 ' ' ILE . 37.8 t -72.9 -22.69 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 120.951 0.405 . . . . 0.35 110.452 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.3 mm-40 -60.56 -32.25 71.33 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.147 0.499 . . . . 1.22 109.899 174.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -63.14 -49.75 73.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.326 -0.852 . . . . 1.49 111.174 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.669 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 11.0 mt -65.15 -28.75 69.63 Favored 'General case' 0 C--O 1.222 -0.357 0 N-CA-C 109.123 -0.695 . . . . 0.67 109.123 175.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -56.6 -34.01 63.55 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.971 -0.633 . . . . 0.64 112.316 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -95.96 -43.3 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.618 0.247 . . . . 0.69 110.596 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.82 -53.45 27.29 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 121.144 -0.551 . . . . 0.25 112.835 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.669 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 96.9 m -63.97 -36.43 83.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.695 0.283 . . . . 1.22 110.421 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . 0.411 ' HB2' HG21 ' A' 1831 ' ' ILE . 9.5 t -62.72 -47.53 83.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 1.03 109.951 176.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.82 92.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.914 -0.585 . . . . 0.28 110.761 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.646 HD11 HG23 ' A' 1868 ' ' VAL . 0.5 OUTLIER -63.33 -51.93 63.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.024 -0.535 . . . . 0.28 111.339 -178.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 16.6 m -67.25 -34.2 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.955 0.407 . . . . 0.26 110.774 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . 0.41 ' HA ' HG21 ' A' 1824 ' ' VAL . 94.6 m -68.21 -41.66 80.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.058 -0.519 . . . . 0.8 110.389 176.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.5 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 36.2 tptt -67.15 -39.29 86.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.831 -0.622 . . . . 1.27 110.236 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -57.15 -48.82 77.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.049 -0.523 . . . . 0.3 111.173 176.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -58.11 -37.09 84.83 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.773 -0.727 . . . . 0.4 112.459 177.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.49 -29.37 59.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 0.5 110.869 178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -77.54 -36.37 52.38 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.552 -0.536 . . . . 0.41 109.552 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' A' 1880 ' ' GLU . 17.6 mt-30 -65.61 -25.52 67.42 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.924 0.392 . . . . 1.06 110.945 175.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 54.0 t -66.74 -27.97 68.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.906 -0.588 . . . . 1.43 110.278 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 55.8 m -154.25 76.74 5.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.532 -0.544 . . . . 0.8 109.532 177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.84 -14.35 31.8 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.207 2.605 . . . . 0.69 112.582 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 28.4 m -85.41 -12.21 52.6 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.655 -0.702 . . . . 1.54 111.35 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -72.37 120.06 17.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 1.16 110.411 -176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 39.0 t -72.64 -44.94 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.113 -0.494 . . . . 1.33 111.531 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.433 ' O ' ' HG3' ' A' 1949 ' ' GLU . 41.6 t80 -66.25 -46.67 76.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.722 0.296 . . . . 1.91 111.117 -174.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.483 HG23 ' HE3' ' A' 1933 ' ' LYS . 25.6 m -61.47 -38.27 86.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.068 0.461 . . . . 0.6 110.602 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' 1951 ' ' ILE . 38.1 ttpt -67.16 -44.78 78.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.796 -0.638 . . . . 1.2 110.114 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -55.31 -44.51 75.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 2.67 110.838 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.5 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 48.8 mt-10 -64.47 -39.48 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 1.53 111.369 -179.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.3 tt -66.62 -38.23 86.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.102 -0.333 . . . . 0.31 110.102 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' 1947 ' ' LYS . 89.6 mt -58.4 -40.75 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.074 -0.512 . . . . 0.35 110.165 175.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' 1956 ' ' ARG . 5.5 mm-40 -65.7 -45.52 82.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.903 -0.589 . . . . 2.11 110.46 175.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.711 ' HA ' ' HD3' ' A' 1956 ' ' ARG . 85.5 m -57.61 -40.96 80.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.88 110.661 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.417 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -61.58 -44.59 96.73 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.226 -0.443 . . . . 0.25 110.928 178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -61.51 -40.57 95.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.208 -0.451 . . . . 3.21 110.515 177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.711 ' HD3' ' HA ' ' A' 1953 ' ' CYS . 74.3 mtp180 -62.16 -50.37 72.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.736 -0.666 . . . . 3.16 111.148 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.773 ' HB ' HG21 ' A' 1868 ' ' VAL . 74.7 t -63.76 -44.28 98.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.3 111.681 -177.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.3 m -57.32 -35.88 70.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.922 0.391 . . . . 1.13 111.077 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -72.37 -32.55 66.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.195 -0.457 . . . . 1.86 111.37 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.64 ' O ' HG23 ' A' 1964 ' ' VAL . 73.8 mmtt -65.47 -43.99 88.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.153 -0.476 . . . . 0.65 110.625 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.781 HG11 ' HB2' ' A' 1865 ' ' ALA . 22.0 t -54.92 -44.86 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 O-C-N 123.661 0.601 . . . . 0.27 111.245 -176.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 5.4 m -56.38 -41.69 76.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.007 0.432 . . . . 1.3 110.915 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.484 ' HB2' ' NH2' ' A' 1919 ' ' ARG . 13.9 m-70 -77.82 -23.18 49.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 1.11 111.088 -178.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.694 HG22 ' HB3' ' A' 1919 ' ' ARG . 58.3 t -73.69 -43.32 54.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.877 -0.416 . . . . 0.35 109.877 175.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.505 HD21 ' HB3' ' A' 1861 ' ' ALA . 69.3 mt -61.09 -37.66 83.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.35 110.59 177.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -59.67 -24.49 63.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.798 -0.637 . . . . 0.4 111.607 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -71.63 -35.97 70.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.787 0.327 . . . . 0.46 110.796 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.66 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.2 mm? -72.35 -51.21 21.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.5 110.582 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -62.62 -19.17 63.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.896 -0.593 . . . . 1.7 111.585 -177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -71.09 -23.49 62.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.028 -0.533 . . . . 0.93 111.028 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -87.97 -104.75 0.93 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.432 -0.667 . . . . 2.0 111.432 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . 0.434 ' H ' ' HE2' ' A' 1850 ' ' PHE . 9.4 m120 -70.89 133.24 46.28 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.561 -0.533 . . . . 5.01 109.561 175.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.182 -0.913 . . . . 7.5 110.614 -172.344 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.764 0 N-CA-C 112.023 -0.431 . . . . 21.55 112.023 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 8.5 tp -155.0 -36.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.033 0.444 . . . . 20.33 110.322 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' 1812 ' ' PRO . 4.8 m-20 -90.88 151.58 43.62 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.087 -0.708 . . . . 19.2 109.087 172.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1811 ' ' ASP . 7.5 Cg_exo -73.82 24.56 0.33 Allowed 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 123.061 2.507 . . . . 18.2 112.913 -178.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -147.07 -179.68 6.99 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.115 -1.068 . . . . 20.33 108.115 -177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 29.6 m -61.28 130.71 47.51 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 110.167 -0.308 . . . . 16.69 110.167 175.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 49.0 t30 -70.91 95.95 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.08 0.467 . . . . 16.15 111.1 -176.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -129.36 -9.3 4.68 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.692 -0.685 . . . . 14.41 109.68 174.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -75.96 -27.47 57.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.765 -0.652 . . . . 12.08 110.561 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -90.45 -179.59 5.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.913 -0.585 . . . . 10.45 110.129 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 18.3 t 62.55 23.67 14.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.546 0.689 . . . . 8.54 110.006 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -67.63 -29.25 68.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.584 -0.734 . . . . 6.8 110.451 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . 0.544 ' HB3' ' HA3' ' A' 1825 ' ' GLY . . . -150.8 104.73 3.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.733 -0.667 . . . . 4.72 110.613 177.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -65.11 -21.17 67.78 Favored Glycine 0 N--CA 1.453 -0.186 0 N-CA-C 111.67 -0.572 . . . . 3.52 111.67 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . 0.416 HG11 ' SG ' ' A' 1939 ' ' CYS . 31.2 m -88.37 34.58 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.142 0.496 . . . . 2.13 110.482 174.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.567 HG11 ' HB ' ' A' 1931 ' ' VAL . 96.6 t 72.2 100.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.902 0.858 . . . . 1.83 111.762 178.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . 0.544 ' HA3' ' HB3' ' A' 1821 ' ' ALA . . . -158.85 152.6 23.7 Favored Glycine 0 N--CA 1.442 -0.967 0 CA-C-N 114.862 -1.063 . . . . 2.1 110.783 174.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 81.53 -56.5 4.9 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.049 -0.596 . . . . 0.91 111.827 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . . . . . . . . . 24.7 ptt? -70.4 -17.26 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.741 0.305 . . . . 1.1 111.039 -178.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 13.0 p -64.81 -27.76 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.3 0.571 . . . . 0.74 109.794 177.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -61.99 -36.27 80.99 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.49 -0.777 . . . . 0.87 110.773 175.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 8.7 t -60.56 -39.97 89.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.97 110.274 178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 57.1 mt -63.94 -49.18 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.32 110.212 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 8.9 m -60.11 -45.72 92.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.61 110.94 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -64.75 -36.77 85.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.336 -0.393 . . . . 2.49 110.808 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -63.01 -28.23 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.34 111.577 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.24 -47.92 79.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.114 0.483 . . . . 0.49 110.42 175.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -66.09 -37.41 85.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.584 -0.734 . . . . 0.72 112.545 -172.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -62.4 -28.84 70.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.919 0.39 . . . . 1.0 111.467 -176.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.638 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 91.0 mt -79.85 -34.07 39.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.79 111.204 -177.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 21.1 t70 -81.77 -36.06 28.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.286 -0.416 . . . . 1.79 110.563 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -56.98 -56.49 21.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.803 -0.635 . . . . 3.25 111.26 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -157.86 142.85 8.86 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.413 -0.898 . . . . 1.73 112.432 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -92.23 21.16 0.75 Allowed 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 123.273 2.649 . . . . 2.43 112.388 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 27.1 ptt? -79.39 158.98 27.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.166 -0.47 . . . . 5.03 110.525 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 174.69 165.5 31.2 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.933 -0.651 . . . . 1.86 111.503 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -115.91 83.38 11.86 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-O 120.706 0.289 . . . . 3.08 110.279 174.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.425 ' HA ' ' OH ' ' A' 1853 ' ' TYR . 18.5 Cg_endo -61.45 119.77 7.08 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.435 2.09 . . . . 1.21 111.891 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -82.24 -10.68 59.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.598 -0.728 . . . . 2.82 109.911 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -138.72 -165.99 10.47 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.393 -0.821 . . . . 1.14 111.259 178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 8.4 p -86.33 174.3 9.14 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.705 0.288 . . . . 1.64 110.723 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 60.7 t80 -57.85 -46.11 85.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.318 -0.401 . . . . 0.68 110.416 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 5.3 p -60.49 -34.22 57.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.333 -0.394 . . . . 0.79 111.321 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.32 -53.02 62.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.974 0.416 . . . . 1.71 110.532 178.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.425 ' OH ' ' HA ' ' A' 1846 ' ' PRO . 66.7 m-85 -67.54 -35.77 79.7 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.203 -0.453 . . . . 1.07 110.809 178.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.624 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.9 tt0 -57.05 -56.83 16.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.223 -0.444 . . . . 0.99 110.968 177.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.418 ' HA ' HG22 ' A' 1858 ' ' VAL . 3.7 t -63.47 -28.04 69.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 1.46 110.473 -176.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 33.3 m -74.76 -43.47 54.72 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.166 0.508 . . . . 0.42 110.421 177.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 79.2 mtp -69.95 -43.87 70.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.185 -0.462 . . . . 0.71 111.656 -179.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.639 ' O ' ' HG2' ' A' 1862 ' ' LYS . 33.5 m -63.64 -38.21 81.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.478 -0.489 . . . . 0.29 110.871 -177.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -64.45 -43.05 95.47 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 121.042 0.449 . . . . 3.02 110.589 176.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.439 ' HB ' HD21 ' A' 1896 ' ' LEU . 38.7 m -67.3 -33.46 75.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.032 -0.531 . . . . 0.35 110.278 178.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.93 -38.38 90.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.25 110.222 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.639 ' HG2' ' O ' ' A' 1858 ' ' VAL . 60.0 mmtt -61.26 -40.22 93.28 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.314 -0.625 . . . . 1.31 109.314 174.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.29 -40.64 81.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.161 -0.927 . . . . 0.41 111.674 -177.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.749 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -73.17 -28.48 26.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.227 -0.589 . . . . 0.28 109.789 177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.778 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.47 -42.42 71.44 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.187 -0.46 . . . . 0.2 111.088 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.491 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.6 p -67.89 -27.61 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.312 -0.555 . . . . 0.73 109.883 176.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 92.0 m -68.27 -52.83 29.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.006 -0.543 . . . . 0.25 110.743 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.742 HG23 HD11 ' A' 1930 ' ' LEU . 2.9 p -65.03 -36.51 77.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 121.157 -0.217 . . . . 0.28 111.054 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.491 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -69.36 -26.49 64.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.148 0.499 . . . . 0.91 109.744 177.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.4 -35.39 54.36 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.739 -0.467 . . . . 0.57 109.739 176.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . . . . . . . . . 27.7 mmm -60.27 -49.1 78.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.549 -0.296 . . . . 1.25 111.105 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.495 HG23 HG23 ' A' 1951 ' ' ILE . 4.8 p -62.56 -41.56 92.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.433 0.635 . . . . 0.59 110.706 178.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 42.6 m -67.85 -46.04 72.87 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.194 -0.912 . . . . 0.44 111.193 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 1.006 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -66.97 -31.06 71.39 Favored 'General case' 0 C--O 1.21 -1.02 0 CA-C-N 116.457 -0.338 . . . . 1.4 111.736 -178.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 56.1 m -62.13 -24.77 67.35 Favored 'General case' 0 C--N 1.311 -1.085 0 C-N-CA 120.237 -0.585 . . . . 1.11 110.898 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -81.86 -32.92 30.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.872 -0.604 . . . . 0.76 111.698 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 3.5 p -109.73 -45.71 3.62 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 113.125 0.787 . . . . 1.32 113.125 -174.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 71.5 m -143.14 87.61 8.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.327 -0.397 . . . . 1.17 111.061 -169.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -70.32 -2.27 10.3 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.72 2.28 . . . . 0.67 112.604 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.3 -24.5 37.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.037 0.446 . . . . 2.24 110.681 -178.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' 1885 ' ' LEU . 49.7 mm-40 -81.02 -10.73 59.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 1.89 111.822 -176.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.506 HD12 HD12 ' A' 1937 ' ' LEU . 74.2 mt -64.43 -34.66 78.7 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.042 0.386 . . . . 0.34 112.042 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -61.75 -55.47 28.38 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 120.544 -0.836 . . . . 0.38 112.778 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -58.28 -39.17 86.9 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.694 2.263 . . . . 0.58 112.871 174.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.468 HD11 ' HG3' ' A' 1874 ' ' LYS . 75.6 mt -70.41 -45.24 66.32 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 121.03 -0.268 . . . . 0.37 110.951 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . 0.47 ' HB1' HG12 ' A' 1931 ' ' VAL . . . -57.8 -32.38 67.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.169 0.509 . . . . 0.36 109.984 173.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -68.44 -48.18 65.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.622 -0.717 . . . . 1.43 110.575 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -65.98 -41.93 90.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.734 -0.666 . . . . 1.07 110.533 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 55.1 tp -56.51 -42.38 78.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.238 0.542 . . . . 0.25 109.719 175.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 36.7 m -63.46 -46.66 85.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.428 -0.805 . . . . 0.28 111.344 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 11.0 t -66.48 -49.87 65.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 1.17 111.359 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.85 -28.68 66.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.214 -0.448 . . . . 0.8 111.796 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 46.3 t80 -64.67 -41.51 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.93 -0.308 . . . . 0.31 110.653 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -68.15 -33.93 79.74 Favored Glycine 0 CA--C 1.505 -0.538 0 N-CA-C 110.306 -1.118 . . . . 0.31 110.306 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -62.73 -45.1 94.32 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-N 114.382 -0.909 . . . . 3.04 110.14 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.439 HD21 ' HB ' ' A' 1860 ' ' THR . 28.7 mt -59.33 -51.56 69.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.034 -0.53 . . . . 0.86 110.98 174.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . 0.435 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -60.46 -43.91 96.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.87 -0.605 . . . . 0.49 112.197 -176.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 73.1 m -61.9 -39.94 93.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.807 -0.179 . . . . 1.38 111.314 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.4 ' C ' ' HD2' ' A' 1902 ' ' PRO . 19.3 mt-30 -77.29 -23.82 51.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.647 0.261 . . . . 1.56 111.525 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.46 -32.23 73.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.353 -0.385 . . . . 0.34 111.931 -177.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.747 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 9.1 mtpm? -64.76 -55.55 27.68 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 116.679 -0.237 . . . . 2.27 111.338 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.747 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 33.9 Cg_exo -59.93 -31.38 93.6 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 122.019 1.812 . . . . 0.6 112.208 173.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.4 -42.28 96.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.39 110.645 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -64.71 -43.95 91.8 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.99 -0.55 . . . . 0.46 111.427 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' 1902 ' ' PRO . 11.8 p -75.56 -28.25 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.534 -0.303 . . . . 1.26 111.427 -178.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -82.29 -13.96 56.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.64 110.95 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.45 142.39 56.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.036 -0.529 . . . . 0.85 110.662 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -80.77 -1.8 44.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.17 0.509 . . . . 2.67 110.738 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.513 ' HB3' HG12 ' A' 1912 ' ' ILE . 53.4 t-20 -141.26 128.18 20.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.196 -0.668 . . . . 2.18 109.196 -179.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -66.26 -33.84 76.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.66 0.267 . . . . 2.24 110.782 -176.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.3 -35.42 77.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.934 0.397 . . . . 2.49 110.342 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.533 ' O ' HG13 ' A' 1916 ' ' ILE . 47.2 mm -66.05 -51.08 64.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.905 -0.588 . . . . 0.89 110.059 177.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.54 -40.67 99.03 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.918 -0.658 . . . . 0.51 112.248 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' A' 1917 ' ' LYS . . . -64.33 -39.66 94.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.996 0.427 . . . . 0.46 110.541 176.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.459 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.6 t-80 -65.87 -37.96 87.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.104 -0.498 . . . . 1.62 109.984 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' 1912 ' ' ILE . 92.1 mt -63.15 -55.3 24.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 116.198 -0.456 . . . . 0.4 110.811 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.654 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.9 ptpt -60.37 -40.24 90.1 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.265 -0.425 . . . . 1.36 111.055 -175.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . 0.458 ' N ' ' HG3' ' A' 1917 ' ' LYS . 27.4 m170 -70.3 -26.68 63.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.607 -0.27 . . . . 1.91 111.592 -175.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.801 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 23.2 mmt180 -79.44 -26.59 41.76 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.827 -0.349 . . . . 2.55 110.947 176.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' 1916 ' ' ILE . 28.9 t -72.86 -28.43 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 N-CA-C 109.086 -0.709 . . . . 0.35 109.086 172.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.654 ' HG2' ' O ' ' A' 1917 ' ' LYS . 20.3 mm-40 -62.03 -40.71 96.65 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.337 -0.616 . . . . 1.22 109.337 172.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.923 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 1.6 mt-10 -55.51 -49.74 71.8 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-N 115.418 -0.81 . . . . 1.49 109.734 175.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 40.8 mt -61.15 -41.64 97.12 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.196 -0.911 . . . . 0.67 111.02 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -53.59 -45.93 66.87 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.25 -0.5 . . . . 0.64 112.782 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -75.53 -41.03 56.1 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.93 -0.308 . . . . 0.69 110.636 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -67.98 -52.34 28.99 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.977 -0.63 . . . . 0.25 112.842 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 77.3 m -62.66 -37.69 87.4 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.596 0.198 . . . . 1.22 111.056 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 23.4 t -58.28 -47.83 82.4 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.231 0.539 . . . . 1.03 109.994 176.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.17 95.16 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.572 -0.74 . . . . 0.28 110.532 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.742 HD11 HG23 ' A' 1868 ' ' VAL . 1.6 mt -59.31 -53.22 60.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.797 -0.638 . . . . 0.28 111.577 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.567 ' HB ' HG11 ' A' 1824 ' ' VAL . 26.7 m -66.18 -34.76 72.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.889 0.376 . . . . 0.26 110.893 -177.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 92.0 m -68.1 -43.26 78.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.139 -0.482 . . . . 0.8 110.838 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.501 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.9 tptt -67.85 -40.19 83.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.128 -0.487 . . . . 1.27 110.177 -179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -61.86 -37.95 86.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.3 111.159 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.23 -41.07 96.58 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.757 -0.735 . . . . 0.4 111.753 176.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -73.96 -33.71 63.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.952 0.406 . . . . 0.5 110.641 177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.506 HD12 HD12 ' A' 1882 ' ' LEU . 2.8 tm? -69.6 -36.47 76.25 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 116.117 -0.492 . . . . 0.41 110.08 -177.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -70.48 -26.31 63.56 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 120.445 -0.502 . . . . 1.06 111.225 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . 0.416 ' SG ' HG11 ' A' 1823 ' ' VAL . 78.0 m -77.24 -29.35 54.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.963 0.411 . . . . 1.43 110.259 174.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 5.2 m -135.23 69.29 69.32 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.05 -0.523 . . . . 0.8 109.804 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.21 -6.42 17.29 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 122.605 2.204 . . . . 0.69 112.401 -174.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 49.7 m -108.76 9.06 27.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.669 -0.696 . . . . 1.54 111.061 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 19.7 t70 -91.3 111.83 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.851 -0.425 . . . . 1.16 109.851 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 31.1 m -67.42 -36.85 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.33 111.728 -174.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 51.0 t80 -63.61 -50.47 69.26 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.946 -0.57 . . . . 1.91 111.027 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.423 ' HA ' ' HE3' ' A' 1933 ' ' LYS . 32.0 m -61.77 -41.9 98.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.267 -0.424 . . . . 0.6 110.917 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.425 ' HB2' HD21 ' A' 1937 ' ' LEU . 38.6 ttpt -66.09 -45.63 80.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 1.2 110.603 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 83.9 tttt -57.22 -46.13 83.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.834 -0.621 . . . . 2.67 110.838 178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.501 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 28.2 mt-10 -64.5 -37.63 88.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.161 -0.472 . . . . 1.53 111.461 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.34 -37.89 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.806 -0.442 . . . . 0.31 109.806 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.495 HG23 HG23 ' A' 1872 ' ' VAL . 76.7 mt -58.31 -46.79 88.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.799 -0.445 . . . . 0.35 109.799 173.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' 1956 ' ' ARG . 25.6 mm-40 -59.23 -48.37 81.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.901 -0.59 . . . . 2.11 110.847 175.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' 1957 ' ' VAL . 81.8 m -57.29 -45.13 84.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.88 110.688 179.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.412 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -61.36 -43.64 98.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.25 111.07 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.498 ' O ' ' HG3' ' A' 1959 ' ' GLU . 57.7 mtp180 -61.16 -41.97 97.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.211 -0.45 . . . . 3.21 110.358 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' 1960 ' ' LYS . 77.8 mtp180 -64.57 -43.49 93.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.061 -0.518 . . . . 3.16 111.135 179.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.656 ' HB ' HG21 ' A' 1868 ' ' VAL . 87.6 t -66.08 -38.44 82.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.543 -0.299 . . . . 0.3 110.823 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 35.1 t -56.19 -37.3 69.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.99 0.424 . . . . 1.13 110.215 175.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' 1955 ' ' ARG . 38.1 mt-10 -69.82 -33.38 72.24 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.099 -0.501 . . . . 1.86 110.433 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.923 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.2 mmtt -67.2 -35.85 80.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.863 -0.608 . . . . 0.65 110.159 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.778 HG11 ' HB2' ' A' 1865 ' ' ALA . 43.9 t -58.28 -46.16 89.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.381 -0.372 . . . . 0.27 110.564 178.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 47.9 t -59.71 -37.4 78.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 1.3 110.053 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.801 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 24.8 m170 -65.03 -41.08 95.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.055 -0.521 . . . . 1.11 110.871 178.664 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' 1960 ' ' LYS . 61.5 t -69.01 -45.33 80.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.315 -0.402 . . . . 0.35 110.56 178.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.7 -45.34 94.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.175 -0.466 . . . . 0.35 110.665 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -66.12 -24.79 66.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.355 -0.384 . . . . 0.4 111.189 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.56 73.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.46 110.382 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.624 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.9 mm? -70.01 -46.28 65.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.054 -0.521 . . . . 0.5 110.48 176.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . 0.687 ' HA ' ' OD1' ' A' 1972 ' ' ASN . 1.2 mp0 -63.03 -21.73 66.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 1.7 111.835 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -67.65 -21.23 65.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.028 0.442 . . . . 0.93 110.617 176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -93.55 4.74 73.29 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.961 -0.638 . . . . 2.0 112.522 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . 0.687 ' OD1' ' HA ' ' A' 1969 ' ' GLN . 21.5 m120 -88.21 115.52 25.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.83 0.348 . . . . 5.01 110.687 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.775 -0.631 . . . . 7.5 110.153 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 112.302 -0.319 . . . . 21.55 112.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 44.7 pt -98.84 -16.87 6.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.106 0.479 . . . . 20.33 110.909 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -94.82 165.03 17.98 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.937 -0.574 . . . . 19.2 109.66 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -48.22 121.13 5.7 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.748 2.299 . . . . 18.2 112.391 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . 0.436 ' CE1' ' HB3' ' A' 1815 ' ' ASN . 25.6 p90 -70.88 -22.11 62.32 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.03 -0.532 . . . . 20.33 111.142 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 32.9 m 62.55 90.21 0.08 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.464 0.649 . . . . 16.69 111.384 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.436 ' HB3' ' CE1' ' A' 1813 ' ' PHE . 27.6 t30 -156.09 92.9 1.38 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.626 -0.716 . . . . 16.15 109.959 177.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 56.45 76.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.25 -0.886 . . . . 14.41 111.779 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -156.82 93.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.62 -0.718 . . . . 12.08 110.14 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -99.47 153.66 18.84 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.28 -0.418 . . . . 10.45 110.965 -178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 12.3 m -74.08 105.35 5.26 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.487 -0.56 . . . . 8.54 109.487 176.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -84.79 164.19 18.64 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.212 -0.449 . . . . 6.8 111.606 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . 76.89 -54.03 0.57 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 124.323 1.015 . . . . 4.72 112.291 175.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 81.99 -49.52 4.11 Favored Glycine 0 N--CA 1.453 -0.169 0 N-CA-C 111.231 -0.748 . . . . 3.52 111.231 -175.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 29.8 m -85.87 -178.19 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 109.553 -0.536 . . . . 2.13 109.553 172.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . . . . . . . . . 87.4 t -96.91 91.35 2.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.67 0.748 . . . . 1.83 111.061 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -146.65 118.04 1.0 Allowed Glycine 0 N--CA 1.443 -0.848 0 CA-C-N 114.788 -1.096 . . . . 2.1 110.685 176.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 121.36 -61.0 0.54 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.715 -0.755 . . . . 0.91 111.758 -174.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . . . . . . . . . 27.3 ptt? -75.99 -19.08 59.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 1.1 110.953 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 13.5 p -67.89 -23.87 29.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.15 0.5 . . . . 0.74 110.077 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.36 -30.46 71.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.712 -0.677 . . . . 0.87 110.456 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 46.1 m -66.29 -32.39 73.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.97 110.67 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.521 HG23 ' CE2' ' A' 1893 ' ' TYR . 66.7 mt -70.11 -46.17 73.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.089 -0.505 . . . . 0.32 110.097 178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 4.4 m -65.71 -37.87 87.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.846 -0.616 . . . . 0.61 110.441 177.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -58.15 -43.41 87.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.329 -0.851 . . . . 2.49 109.847 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.558 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -61.27 -36.33 79.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.11 -0.95 . . . . 0.34 111.501 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . 0.677 ' HA ' HE22 ' A' 1921 ' ' GLN . 34.7 mt -62.6 -40.43 88.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.114 0.483 . . . . 0.49 110.54 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' 1836 ' ' ASN . 0.9 OUTLIER -77.24 -40.27 45.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.057 -0.52 . . . . 0.72 111.108 -175.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . 0.558 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.3 pt20 -64.09 -31.82 73.15 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 111.642 0.238 . . . . 1.0 111.642 -175.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 83.0 mt -70.62 -43.28 69.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.805 0.336 . . . . 0.79 110.729 -178.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 35.6 t70 -73.37 -26.08 60.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.995 -0.548 . . . . 1.79 109.967 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.59 -43.69 84.81 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.36 -0.836 . . . . 3.25 110.875 174.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 160.79 170.86 25.96 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.499 -0.858 . . . . 1.73 112.489 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -93.33 -168.52 0.19 Allowed 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.326 2.684 . . . . 2.43 112.271 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . 0.544 ' HG2' ' HB3' ' A' 1901 ' ' LYS . 20.7 mmt -105.78 107.22 18.1 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.697 -0.482 . . . . 5.03 109.697 174.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -68.89 149.27 49.15 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.859 -0.686 . . . . 1.86 112.409 -176.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 20.3 m-20 57.41 69.97 1.47 Allowed Pre-proline 0 C--N 1.327 -0.38 0 C-N-CA 122.993 0.517 . . . . 3.08 110.73 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.6 135.57 65.21 Favored 'Trans proline' 0 N--CA 1.463 -0.29 0 C-N-CA 122.611 2.207 . . . . 1.21 111.684 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -93.72 12.27 26.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.253 0.549 . . . . 2.82 110.97 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -148.01 167.0 28.9 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 110.882 -0.887 . . . . 1.14 110.882 175.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 19.6 m -81.67 167.14 19.49 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.878 -0.416 . . . . 1.64 109.878 179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.518 ' HB2' ' O ' ' A' 1906 ' ' ALA . 45.5 t80 -59.91 -36.64 77.42 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.202 -0.296 . . . . 0.68 110.202 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 4.9 p -57.77 -38.75 67.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.12 -0.491 . . . . 0.79 111.579 178.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . 0.412 ' O ' HG22 ' A' 1855 ' ' THR . 13.9 t70 -64.35 -55.67 19.58 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.896 0.379 . . . . 1.71 110.514 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -63.83 -36.75 84.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.034 -0.53 . . . . 1.07 110.579 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.654 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.7 tt0 -58.63 -55.74 31.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.099 -0.5 . . . . 0.99 110.944 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.412 HG22 ' O ' ' A' 1852 ' ' ASP . 1.5 t -64.68 -26.09 68.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.485 . . . . 1.46 110.618 -175.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 16.5 m -75.54 -46.08 34.23 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.359 -0.382 . . . . 0.42 110.029 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.4 mtp -66.21 -45.84 79.33 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.71 111.982 -177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.719 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.8 m -60.08 -37.29 72.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.71 -0.396 . . . . 0.29 111.227 -176.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -71.89 -42.07 67.22 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.798 0.332 . . . . 3.02 110.755 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.485 ' HB ' HD21 ' A' 1896 ' ' LEU . 16.6 m -65.87 -35.06 79.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.931 0.396 . . . . 0.35 110.591 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.538 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.02 -43.18 96.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 0.25 110.585 176.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' 1858 ' ' VAL . 63.4 mttm -61.77 -32.35 72.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.984 0.421 . . . . 1.31 110.636 176.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.04 -38.47 82.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.41 111.169 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.749 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.84 -26.11 13.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.374 -0.53 . . . . 0.28 109.946 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.889 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -72.08 -41.33 67.47 Favored 'General case' 0 CA--C 1.523 -0.08 0 CA-C-N 116.263 -0.426 . . . . 0.2 111.499 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . . . . . . . . . 14.4 p -66.78 -27.77 40.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.165 0.507 . . . . 0.73 109.832 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 85.2 m -71.52 -45.84 61.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.61 . . . . 0.25 110.986 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.836 HG21 ' HB ' ' A' 1957 ' ' VAL . 3.9 p -71.65 -33.67 49.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 O-C-N 122.292 -0.255 . . . . 0.28 111.379 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -69.46 -26.39 64.56 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.185 -0.672 . . . . 0.91 109.185 175.574 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' 1869 ' ' GLN . 7.1 tp10 -75.47 -35.67 60.81 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.634 -0.712 . . . . 0.57 109.907 176.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.57 ' SD ' HD22 ' A' 1882 ' ' LEU . 4.9 mmt -51.49 -56.4 13.53 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.11 -0.495 . . . . 1.25 111.838 178.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.537 HG23 HG23 ' A' 1951 ' ' ILE . 8.6 p -59.04 -36.95 64.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.545 0.688 . . . . 0.59 110.894 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 99.1 m -75.18 -42.39 55.94 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.099 -0.955 . . . . 0.44 111.238 -176.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.825 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -74.6 -34.52 62.86 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.531 -0.304 . . . . 1.4 111.653 -178.641 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 24.6 t -60.83 -27.39 68.03 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.184 0.516 . . . . 1.11 110.408 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -81.86 -26.65 34.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.781 -0.645 . . . . 0.76 111.787 178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 7.4 p -109.52 -45.98 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.097 0.777 . . . . 1.32 113.097 -171.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.2 t -149.36 98.47 3.47 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.53 -0.544 . . . . 1.17 109.53 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.97 -19.32 63.83 Favored 'Trans proline' 0 C--N 1.339 0.073 0 C-N-CA 122.805 2.337 . . . . 0.67 112.823 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.58 -15.54 59.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.781 0.324 . . . . 2.24 111.294 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.698 ' O ' ' HG ' ' A' 1885 ' ' LEU . 37.5 mm-40 -76.23 -19.74 58.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.799 0.333 . . . . 1.89 110.447 178.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.57 HD22 ' SD ' ' A' 1871 ' ' MET . 88.4 mt -67.18 -32.97 74.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.923 -0.58 . . . . 0.34 111.699 -174.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -61.82 -55.57 27.66 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.714 -0.755 . . . . 0.38 112.692 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -54.4 -38.47 89.33 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.664 2.243 . . . . 0.58 112.498 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.7 mt -69.68 -43.07 73.27 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.718 0.294 . . . . 0.37 110.498 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . 0.443 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.29 -31.95 69.59 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.173 0.511 . . . . 0.36 109.914 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -72.03 -46.06 58.51 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.589 -0.732 . . . . 1.43 110.446 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -67.32 -42.22 84.01 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.785 -0.643 . . . . 1.07 110.621 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 42.3 tp -58.5 -35.89 72.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.154 0.502 . . . . 0.25 109.823 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 47.9 m -68.22 -51.8 41.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.576 -0.738 . . . . 0.28 111.233 177.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 65.1 p -63.95 -47.89 78.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.293 0.568 . . . . 1.17 111.257 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.415 ' CB ' HG22 ' A' 1864 ' ' ILE . 1.4 m-20 -66.15 -32.66 74.24 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.347 -0.842 . . . . 0.8 111.583 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . 0.521 ' CE2' HG23 ' A' 1831 ' ' ILE . 66.4 t80 -65.8 -43.22 89.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.733 0.301 . . . . 0.31 110.42 176.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.61 -29.15 63.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.013 -0.613 . . . . 0.31 112.087 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -70.14 -46.67 64.26 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.149 -0.315 . . . . 3.04 110.149 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.485 HD21 ' HB ' ' A' 1860 ' ' THR . 17.2 mt -60.48 -39.75 88.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.327 -0.397 . . . . 0.86 110.974 176.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -59.64 -34.43 72.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.027 -0.533 . . . . 0.49 111.339 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 36.8 t -74.37 -36.83 63.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.14 -0.482 . . . . 1.38 110.431 178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -75.77 -30.68 59.22 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.948 -0.569 . . . . 1.56 111.526 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . 0.405 ' HB2' HG21 ' A' 1920 ' ' VAL . . . -65.0 -35.88 82.61 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.355 0.502 . . . . 0.34 112.355 -175.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.544 ' HB3' ' HG2' ' A' 1843 ' ' MET . 47.7 mttm -56.37 -58.74 14.96 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.166 0.432 . . . . 2.27 112.166 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -72.63 -29.18 13.34 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 121.737 1.625 . . . . 0.6 112.632 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.81 99.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.39 111.018 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . 0.405 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -62.6 -42.54 99.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.976 -0.556 . . . . 0.46 111.723 -178.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.514 HG11 ' O ' ' A' 1843 ' ' MET . 7.9 p -77.04 -27.38 16.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.352 -0.386 . . . . 1.26 111.618 -177.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -93.94 0.5 56.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.652 0.263 . . . . 0.64 111.578 -176.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . 0.415 ' HA ' ' CD1' ' A' 1850 ' ' PHE . . . -67.34 155.55 38.64 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.457 . . . . 0.85 111.568 -177.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -61.21 -51.54 68.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.662 -0.699 . . . . 2.67 111.747 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.777 ' HB2' HD13 ' A' 1912 ' ' ILE . 65.7 m-20 -116.37 159.99 21.16 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.49 -0.323 . . . . 2.18 110.354 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -63.07 -33.93 76.5 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.73 -0.668 . . . . 2.24 110.908 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.34 -44.72 78.36 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.855 0.36 . . . . 2.49 110.239 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.777 HD13 ' HB2' ' A' 1909 ' ' ASN . 2.0 mp -58.53 -49.48 82.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.598 -0.728 . . . . 0.89 110.187 178.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -62.16 -42.06 99.72 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.722 -0.752 . . . . 0.51 112.415 178.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -66.75 -39.25 87.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.034 0.445 . . . . 0.46 110.753 179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' A' 1919 ' ' ARG . 16.2 m-70 -68.38 -37.32 80.3 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.091 -0.504 . . . . 1.62 110.93 178.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' 1912 ' ' ILE . 70.3 mt -56.56 -54.96 22.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.592 0.234 . . . . 0.4 111.197 177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.524 ' O ' ' HG2' ' A' 1921 ' ' GLN . 19.7 ptpt -63.15 -34.6 77.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.433 -0.349 . . . . 1.36 110.85 -176.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -71.36 -37.7 71.62 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.052 0.39 . . . . 1.91 112.052 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.699 ' HA ' ' HG3' ' A' 1922 ' ' GLU . 37.9 mmt180 -70.15 -29.3 66.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.771 0.32 . . . . 2.55 111.508 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.405 HG21 ' HB2' ' A' 1900 ' ' ALA . 39.9 t -71.69 -27.86 29.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.097 0.475 . . . . 0.35 110.085 178.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.677 HE22 ' HA ' ' A' 1835 ' ' ILE . 0.0 OUTLIER -68.68 -25.66 64.91 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.717 -0.475 . . . . 1.22 109.717 177.471 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.736 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 9.0 mt-10 -67.16 -45.2 77.72 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.0 -0.546 . . . . 1.49 109.714 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.666 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.2 mt -66.67 -30.43 70.68 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 108.805 -0.813 . . . . 0.67 108.805 173.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -56.36 -31.38 59.63 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.792 -0.718 . . . . 0.64 112.128 177.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -94.58 -42.96 8.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.673 0.273 . . . . 0.69 110.817 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.65 -55.11 12.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.843 -0.694 . . . . 0.25 112.626 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.666 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 87.7 m -61.36 -37.75 84.47 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.281 0.232 . . . . 1.22 110.861 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . 0.403 ' HB2' ' O ' ' A' 1924 ' ' GLY . 9.2 t -62.69 -46.34 88.62 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.989 0.424 . . . . 1.03 110.023 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.86 93.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.939 -0.573 . . . . 0.28 110.646 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.6 HD12 HG21 ' A' 1957 ' ' VAL . 0.4 OUTLIER -61.65 -53.07 61.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.989 -0.55 . . . . 0.28 110.785 -178.475 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' 1886 ' ' ALA . 28.9 m -63.04 -38.13 81.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.773 0.32 . . . . 0.26 110.793 -178.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 98.3 m -62.44 -45.97 90.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.224 0.535 . . . . 0.8 110.385 176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.532 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.8 tptt -67.25 -38.22 84.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.481 -0.781 . . . . 1.27 110.852 -176.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -60.51 -42.39 96.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.603 -0.271 . . . . 0.3 111.449 177.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -60.08 -41.33 98.01 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.479 -0.867 . . . . 0.4 111.587 176.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.24 -23.77 59.21 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.861 0.362 . . . . 0.5 111.032 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.553 HD12 HD12 ' A' 1882 ' ' LEU . 2.7 tm? -77.43 -34.98 54.45 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.509 -0.552 . . . . 0.41 109.509 178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -69.95 -25.97 63.9 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.302 -0.559 . . . . 1.06 110.043 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 35.3 t -77.38 -17.89 57.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.342 -0.844 . . . . 1.43 110.423 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 22.9 m -150.95 67.57 7.81 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.803 0.335 . . . . 0.8 110.14 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -67.42 -15.71 46.04 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.704 2.269 . . . . 0.69 113.089 -173.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 23.1 t -104.69 5.89 33.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.281 -0.418 . . . . 1.54 110.711 -176.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -89.65 112.87 24.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.734 0.302 . . . . 1.16 110.527 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 13.6 m -64.31 -37.69 80.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.049 -0.523 . . . . 1.33 112.062 -176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.48 ' O ' ' HG3' ' A' 1949 ' ' GLU . 36.2 t80 -60.29 -52.2 66.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.717 0.294 . . . . 1.91 110.464 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 32.4 m -63.35 -44.1 95.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.385 -0.37 . . . . 0.6 111.289 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -63.51 -47.27 82.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.395 -0.366 . . . . 1.2 111.005 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.56 -41.2 89.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.161 -0.472 . . . . 2.67 110.782 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.532 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 49.5 mt-10 -66.08 -36.04 82.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 1.53 111.007 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -67.3 -39.67 85.96 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.927 -0.398 . . . . 0.31 109.927 177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.581 ' O ' ' HG3' ' A' 1955 ' ' ARG . 81.2 mt -57.62 -44.33 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.135 -0.484 . . . . 0.35 109.845 175.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -62.18 -42.96 99.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.826 -0.625 . . . . 2.11 111.057 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.54 ' O ' HG23 ' A' 1957 ' ' VAL . 71.8 m -59.31 -44.51 92.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.88 110.414 177.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.86 89.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.25 110.889 178.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' 1951 ' ' ILE . 82.2 mtp180 -60.65 -46.47 90.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.075 -0.512 . . . . 3.21 110.456 177.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.556 ' O ' ' HG2' ' A' 1960 ' ' LYS . 46.7 mtm180 -64.65 -43.7 92.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.734 -0.666 . . . . 3.16 111.269 -178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.836 ' HB ' HG21 ' A' 1868 ' ' VAL . 61.4 t -62.79 -44.73 99.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.595 0.236 . . . . 0.3 110.569 179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 41.9 m -55.91 -37.56 69.07 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.282 -0.417 . . . . 1.13 110.804 177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.456 ' O ' ' HD2' ' A' 1963 ' ' HIS . 47.2 mt-10 -60.85 -51.36 69.65 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.148 0.499 . . . . 1.86 110.335 176.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.736 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.2 mmtt -59.42 -37.66 78.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.268 -0.878 . . . . 0.65 111.382 -173.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.889 HG11 ' HB2' ' A' 1865 ' ' ALA . 23.8 t -55.51 -44.99 78.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.053 0.454 . . . . 0.27 110.473 178.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 22.7 t -62.94 -37.94 89.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.756 -0.656 . . . . 1.3 110.125 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.567 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 75.5 m-70 -67.38 -40.39 85.69 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.247 -0.433 . . . . 1.11 110.425 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' 1919 ' ' ARG . 62.3 t -62.31 -50.62 79.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.089 0.471 . . . . 0.35 110.102 176.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 97.3 mt -59.21 -36.1 74.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.738 -0.665 . . . . 0.35 110.907 179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -64.12 -37.01 85.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.415 -0.357 . . . . 0.4 111.033 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.78 99.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.368 -0.378 . . . . 0.46 111.252 -178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.654 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.0 mm? -68.84 -51.69 37.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.5 111.098 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.34 -14.93 63.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.168 -0.469 . . . . 1.7 111.706 -176.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -70.72 -14.2 62.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.963 0.411 . . . . 0.93 110.898 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -106.05 35.28 5.16 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 121.063 -0.589 . . . . 2.0 112.382 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 2.8 m120 -77.09 100.62 5.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.765 0.317 . . . . 5.01 110.726 177.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 38.3 mtp-105 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.728 -0.653 . . . . 7.5 109.546 176.753 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 112.075 -0.41 . . . . 21.55 112.075 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . 0.501 HD11 ' HB2' ' A' 1817 ' ' ALA . 13.3 tt -100.96 1.58 10.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.199 0.523 . . . . 20.33 110.717 -176.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -118.66 92.55 44.38 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.278 -0.419 . . . . 19.2 111.426 -175.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -94.34 -83.7 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 123.343 2.695 . . . . 18.2 111.156 172.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -133.74 -57.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.803 -0.814 . . . . 20.33 108.803 171.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 26.5 m -98.63 124.75 43.61 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.958 -0.756 . . . . 16.69 108.958 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -82.86 97.44 8.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.107 0.48 . . . . 16.15 110.7 -176.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -111.14 100.21 8.91 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.793 -0.64 . . . . 14.41 109.626 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . 0.501 ' HB2' HD11 ' A' 1810 ' ' ILE . . . -97.38 18.34 15.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.931 -0.577 . . . . 12.08 111.171 -176.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -54.88 -41.92 71.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 10.45 111.156 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 70.6 m -155.57 142.18 18.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.143 -0.48 . . . . 8.54 109.831 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -77.18 64.6 2.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.313 0.578 . . . . 6.8 110.824 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -149.71 -28.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.575 -0.739 . . . . 4.72 110.306 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 90.61 -37.16 3.41 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.919 -0.658 . . . . 3.52 112.247 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . 0.979 HG21 ' HA2' ' A' 1935 ' ' GLY . 4.1 p -145.54 -178.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 110.156 -0.312 . . . . 2.13 110.156 -177.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.966 HG11 ' HB ' ' A' 1931 ' ' VAL . 74.2 t -73.04 107.83 3.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.498 0.666 . . . . 1.83 111.987 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -130.43 -31.36 0.57 Allowed Glycine 0 C--N 1.315 -0.617 0 CA-C-N 114.802 -1.09 . . . . 2.1 111.492 172.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -81.05 -35.57 23.86 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.774 -0.727 . . . . 0.91 112.391 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.648 ' HB2' HG13 ' A' 1824 ' ' VAL . 1.5 mpt? -56.78 -44.43 81.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.685 0.279 . . . . 1.1 111.387 -178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 11.9 p -61.93 -31.41 51.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-O 121.091 0.472 . . . . 0.74 111.246 -174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 28.1 t70 -67.42 -44.46 78.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.25 0.548 . . . . 0.87 110.322 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 14.8 m -64.59 -38.55 91.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.513 -0.767 . . . . 0.97 111.055 179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' 1827 ' ' MET . 80.6 mt -60.41 -44.53 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 121.141 0.496 . . . . 0.32 110.601 177.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 34.3 m -64.7 -32.98 74.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.84 -0.618 . . . . 0.61 111.166 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.56 -39.12 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.777 -0.453 . . . . 2.49 109.777 176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.473 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -62.19 -32.72 73.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.845 -0.616 . . . . 0.34 111.2 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . 0.516 ' HA ' HE22 ' A' 1921 ' ' GLN . 43.5 mt -64.79 -51.32 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.216 -0.447 . . . . 0.49 110.347 177.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -65.94 -30.27 70.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.664 -0.698 . . . . 0.72 112.27 -173.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' 1834 ' ' ALA . 11.4 pt20 -72.07 -34.69 68.89 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 120.766 -0.374 . . . . 1.0 111.075 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' 1917 ' ' LYS . 74.4 mt -80.12 -35.51 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.79 111.159 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 37.4 t70 -62.94 -29.94 71.18 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.876 -0.602 . . . . 1.79 110.361 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -55.6 -58.9 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.438 -0.801 . . . . 3.25 110.816 175.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . 0.471 ' O ' ' HE3' ' A' 1901 ' ' LYS . . . 164.05 -174.08 40.13 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.462 -0.655 . . . . 1.73 111.462 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . 0.49 ' HB3' ' HB3' ' A' 1904 ' ' ALA . 71.0 Cg_endo -94.22 -91.64 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.868 2.378 . . . . 2.43 112.363 175.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 65.2 mtt 54.67 -170.6 0.06 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.212 0.529 . . . . 5.03 111.973 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 102.21 180.0 27.27 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.506 -0.854 . . . . 1.86 112.857 177.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . 0.414 ' HA ' ' HD2' ' A' 1846 ' ' PRO . 31.2 t70 -121.58 84.74 42.85 Favored Pre-proline 0 C--N 1.321 -0.656 0 N-CA-C 109.111 -0.7 . . . . 3.08 109.111 170.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' 1845 ' ' ASP . 1.6 Cg_endo -46.65 131.79 16.14 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 123.674 2.916 . . . . 1.21 112.755 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -79.01 -9.88 59.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.564 -0.743 . . . . 2.82 110.231 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -135.79 -168.88 11.66 Favored Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.141 -0.784 . . . . 1.14 111.141 175.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 4.5 p -98.07 176.28 5.81 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.876 -0.416 . . . . 1.64 109.876 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.479 ' HE1' HD11 ' A' 1916 ' ' ILE . 87.1 t80 -56.57 -48.39 77.47 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.236 -0.283 . . . . 0.68 110.236 178.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.9 p -62.34 -36.35 74.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.79 111.137 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.5 t70 -63.9 -48.36 76.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.075 0.464 . . . . 1.71 110.365 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.417 ' HD1' ' HB3' ' A' 1899 ' ' GLN . 50.4 m-85 -67.78 -42.42 81.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.039 -0.528 . . . . 1.07 110.708 176.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.654 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 56.8 tt0 -56.32 -55.46 33.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.829 -0.623 . . . . 0.99 111.414 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.547 ' O ' ' HG3' ' A' 1859 ' ' ARG . 10.9 t -60.47 -28.18 68.13 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.35 -0.386 . . . . 1.46 110.633 -177.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 33.9 m -78.0 -51.69 9.96 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.203 -0.453 . . . . 0.42 110.825 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 81.9 mtp -60.66 -41.38 94.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.059 -0.518 . . . . 0.71 112.092 -176.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.716 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -62.81 -31.73 53.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.461 -0.495 . . . . 0.29 111.072 -178.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' 1855 ' ' THR . 34.4 mtt180 -70.89 -44.02 67.17 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.02 0.438 . . . . 3.02 110.15 178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.431 ' HB ' HD21 ' A' 1896 ' ' LEU . 32.0 m -66.18 -34.74 78.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.648 -0.706 . . . . 0.35 110.756 178.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.516 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.36 -43.58 98.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.425 -0.352 . . . . 0.25 110.447 176.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.716 ' HG3' ' O ' ' A' 1858 ' ' VAL . 83.4 mttt -61.83 -35.03 77.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.252 0.549 . . . . 1.31 110.056 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -68.58 -42.67 77.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.658 -0.701 . . . . 0.41 111.459 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.727 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -72.32 -26.16 24.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.292 -0.563 . . . . 0.28 109.652 177.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.827 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.98 -40.48 78.77 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.892 -0.595 . . . . 0.2 111.267 178.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.488 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.6 p -73.79 -27.37 22.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.161 -0.616 . . . . 0.73 109.836 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.519 HG21 ' HB2' ' A' 1889 ' ' LEU . 61.7 m -64.85 -50.55 66.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.05 -0.523 . . . . 0.25 110.55 174.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.736 HG23 HD11 ' A' 1930 ' ' LEU . 2.8 p -66.3 -37.59 80.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.698 -0.228 . . . . 0.28 111.287 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.488 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.76 -26.89 67.19 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.757 -0.46 . . . . 0.91 109.757 178.42 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.445 ' HG3' ' HG3' ' A' 1874 ' ' LYS . 5.1 tp10 -77.4 -43.57 32.2 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 109.689 -0.486 . . . . 0.57 109.689 176.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.444 ' SD ' ' HB2' ' A' 1885 ' ' LEU . 34.7 mmm -58.03 -47.76 82.12 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.292 -0.413 . . . . 1.25 111.606 -177.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.538 HG23 ' HA ' ' A' 1951 ' ' ILE . 12.3 p -60.32 -33.44 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.409 0.623 . . . . 0.59 110.571 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 92.9 m -80.57 -47.95 13.43 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.253 -0.885 . . . . 0.44 111.281 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.445 ' HG3' ' HG3' ' A' 1870 ' ' GLU . 7.9 mmpt? -63.08 -28.61 70.19 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.181 -0.463 . . . . 1.4 111.643 -176.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 48.8 m -56.9 -24.12 49.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.075 0.464 . . . . 1.11 111.246 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 59.8 m-80 -81.26 -38.89 26.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.999 -0.546 . . . . 0.76 111.796 -178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 68.5 p -108.71 -33.01 7.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.569 0.581 . . . . 1.32 112.569 -172.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 8.3 m -145.22 83.25 9.3 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.238 -0.437 . . . . 1.17 110.972 -165.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.3 -31.36 53.07 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.343 2.028 . . . . 0.67 112.478 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.99 -28.26 66.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.443 -0.344 . . . . 2.24 111.573 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.44 -11.0 60.32 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.739 0.304 . . . . 1.89 111.095 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.03 -26.04 65.68 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.228 -0.442 . . . . 0.34 110.72 178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.39 -55.69 17.07 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.412 -0.899 . . . . 0.38 112.697 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -58.74 -39.85 78.32 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.672 2.248 . . . . 0.58 112.742 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.444 ' HB2' ' SD ' ' A' 1871 ' ' MET . 74.3 mt -69.73 -43.84 71.51 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.564 -0.289 . . . . 0.37 110.826 -178.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . 0.634 ' CB ' HG21 ' A' 1824 ' ' VAL . . . -56.53 -34.84 67.42 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.091 0.472 . . . . 0.36 110.296 174.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -69.08 -44.75 71.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.653 -0.703 . . . . 1.43 110.587 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.45 -41.88 83.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.158 -0.474 . . . . 1.07 110.484 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.519 ' HB2' HG21 ' A' 1867 ' ' THR . 54.2 tp -57.04 -39.84 75.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.218 0.532 . . . . 0.25 109.693 175.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . 0.46 ' OG1' ' HB3' ' A' 1827 ' ' MET . 54.7 m -71.12 -44.0 66.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.305 -0.861 . . . . 0.28 111.811 -179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 50.5 p -72.32 -51.37 21.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.791 0.329 . . . . 1.17 111.036 -175.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.63 -39.34 76.73 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.102 -0.499 . . . . 0.8 110.811 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 51.1 t80 -64.12 -44.19 92.96 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.656 0.265 . . . . 0.31 110.867 176.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.67 -37.51 83.68 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.888 -0.673 . . . . 0.31 111.619 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -65.74 -45.84 81.09 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.114 -0.328 . . . . 3.04 110.114 176.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.431 HD21 ' HB ' ' A' 1860 ' ' THR . 42.8 mt -52.92 -51.75 60.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.86 110.475 174.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . 0.473 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -63.21 -30.94 71.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.813 -0.631 . . . . 0.49 111.802 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . 0.434 ' O ' ' HD2' ' A' 1902 ' ' PRO . 49.9 m -71.18 -60.16 2.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.769 -0.196 . . . . 1.38 110.744 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.417 ' HB3' ' HD1' ' A' 1853 ' ' TYR . 1.1 mp0 -63.21 -24.5 67.91 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.405 0.52 . . . . 1.56 112.405 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.9 -31.0 71.97 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.088 0.403 . . . . 0.34 112.088 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.471 ' HE3' ' O ' ' A' 1841 ' ' GLY . 77.9 tttt -70.06 -55.26 8.58 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.536 -0.302 . . . . 2.27 111.327 -174.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.434 ' HD2' ' O ' ' A' 1898 ' ' SER . 25.7 Cg_endo -64.75 -29.25 59.62 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 121.916 1.744 . . . . 0.6 112.166 174.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.55 -37.67 87.02 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.977 0.418 . . . . 0.39 110.367 176.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . 0.505 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -62.67 -43.81 97.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.529 -0.76 . . . . 0.46 111.479 -179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' 1842 ' ' PRO . 9.2 p -76.77 -27.39 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 1.26 111.263 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -67.91 -29.33 68.39 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.021 0.439 . . . . 0.64 110.705 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.97 148.04 51.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.759 -0.655 . . . . 0.85 110.038 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -84.45 -24.98 29.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.821 0.343 . . . . 2.67 110.532 -177.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.693 ' HB2' HG12 ' A' 1912 ' ' ILE . 90.4 m-20 -97.66 123.05 41.42 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.768 -0.456 . . . . 2.18 109.768 174.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.84 -35.63 75.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.169 0.509 . . . . 2.24 109.888 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' 1915 ' ' HIS . 2.0 mp0 -62.52 -34.81 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.747 -0.66 . . . . 2.49 110.855 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.693 HG12 ' HB2' ' A' 1909 ' ' ASN . 46.5 mm -66.45 -47.0 85.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.52 -0.548 . . . . 0.89 109.52 177.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -60.15 -44.34 97.46 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.652 -0.704 . . . . 0.51 111.965 176.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.74 -42.9 94.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.255 0.55 . . . . 0.46 110.116 175.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' 1911 ' ' GLU . 2.9 t-160 -62.25 -40.16 95.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.886 -1.052 . . . . 1.62 110.544 -177.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' 1920 ' ' VAL . 93.2 mt -62.0 -55.33 24.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.364 -0.38 . . . . 0.4 110.796 177.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.593 ' O ' ' HG2' ' A' 1921 ' ' GLN . 46.5 mtmt -61.62 -46.11 91.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.916 -0.583 . . . . 1.36 111.049 -176.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -65.64 -29.25 69.79 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.765 -0.652 . . . . 1.91 112.038 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.457 ' HA ' ' HD3' ' A' 1919 ' ' ARG . 25.2 mmt180 -78.62 -26.48 45.28 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.695 -0.402 . . . . 2.55 110.889 177.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' 1916 ' ' ILE . 59.6 t -72.55 -30.53 34.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.248 -0.649 . . . . 0.35 109.248 173.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.593 ' HG2' ' O ' ' A' 1917 ' ' LYS . 22.7 mm-40 -62.34 -31.27 71.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.677 -0.692 . . . . 1.22 110.055 174.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' 1919 ' ' ARG . 17.0 mm-40 -56.73 -51.42 68.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.892 -0.595 . . . . 1.49 110.335 177.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.664 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 14.2 mt -69.9 -25.98 63.95 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 109.389 -0.597 . . . . 0.67 109.389 177.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . 0.481 ' O ' HD11 ' A' 1835 ' ' ILE . . . -56.11 -31.66 59.16 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.954 -0.641 . . . . 0.64 112.361 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -99.09 -39.25 8.6 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.938 -0.305 . . . . 0.69 110.527 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.26 -52.73 25.51 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.859 -0.686 . . . . 0.25 112.502 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 92.5 m -64.49 -34.62 78.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.788 0.328 . . . . 1.22 110.387 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . 0.474 ' HB2' ' O ' ' A' 1924 ' ' GLY . 16.4 t -60.51 -49.97 75.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.45 0.643 . . . . 1.03 109.84 175.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.73 92.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.334 -0.848 . . . . 0.28 110.826 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.736 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.1 -52.25 65.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.759 -0.655 . . . . 0.28 111.004 -179.113 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.966 ' HB ' HG11 ' A' 1824 ' ' VAL . 25.5 m -69.43 -32.85 54.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.425 -0.352 . . . . 0.26 111.711 -174.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 12.0 t -79.03 -28.32 43.28 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.726 -0.39 . . . . 0.8 110.806 -178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.492 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 39.2 tptt -75.06 -32.11 61.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.906 -0.405 . . . . 1.27 109.906 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.97 69.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.874 -0.603 . . . . 0.3 110.689 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . 0.979 ' HA2' HG21 ' A' 1823 ' ' VAL . . . -57.21 -40.86 92.38 Favored Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 116.1 -0.5 . . . . 0.4 112.292 175.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -80.43 -29.81 37.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.723 0.297 . . . . 0.5 110.811 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' 1937 ' ' LEU . 2.2 tm? -70.06 -32.77 71.02 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.741 -0.466 . . . . 0.41 109.741 -177.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -77.69 -25.3 49.38 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.975 0.417 . . . . 1.06 111.166 175.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 21.0 t -76.52 -28.88 56.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.246 0.546 . . . . 1.43 109.627 177.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 25.2 m -145.9 77.24 12.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.842 -0.617 . . . . 0.8 109.882 176.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -65.02 -18.04 60.95 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.956 2.437 . . . . 0.69 112.678 -175.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 44.8 t -92.85 -4.76 52.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.731 -0.668 . . . . 1.54 110.573 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 23.9 t70 -81.12 109.03 15.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.222 0.535 . . . . 1.16 110.286 -179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 60.7 t -66.52 -33.83 66.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.723 -0.671 . . . . 1.33 111.409 -176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.466 ' O ' ' HG2' ' A' 1949 ' ' GLU . 75.5 t80 -61.17 -53.04 61.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.523 -0.308 . . . . 1.91 110.715 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 40.8 m -58.19 -44.49 88.08 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.444 -0.343 . . . . 0.6 110.868 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.556 ' O ' HG13 ' A' 1951 ' ' ILE . 28.3 ttpp -61.88 -45.05 95.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 1.2 110.15 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' 1952 ' ' GLU . 32.7 ttpt -60.37 -47.57 85.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.498 -0.319 . . . . 2.67 110.603 -179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.492 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 56.3 mm-40 -57.58 -42.1 82.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 1.53 110.449 178.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.455 ' HG ' HD23 ' A' 1930 ' ' LEU . 7.8 tt -66.31 -41.58 89.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.31 110.431 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' 1947 ' ' LYS . 96.7 mt -56.93 -44.59 82.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.396 -0.365 . . . . 0.35 110.1 176.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' 1948 ' ' LYS . 7.0 mm-40 -62.34 -41.02 98.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 2.11 110.574 177.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.571 ' HA ' ' HE ' ' A' 1956 ' ' ARG . 73.0 m -62.17 -46.08 90.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.88 110.497 176.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.43 94.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.25 111.336 178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' 1951 ' ' ILE . 82.5 mtp180 -56.87 -47.24 80.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 3.21 110.483 177.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.576 ' O ' ' HG2' ' A' 1960 ' ' LYS . 61.7 mtm180 -60.55 -45.94 92.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.729 -0.669 . . . . 3.16 110.726 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.666 ' HB ' HG21 ' A' 1868 ' ' VAL . 63.5 t -59.05 -50.57 79.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.3 110.873 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 32.6 t -57.77 -35.7 71.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 1.13 110.833 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -72.37 -39.82 67.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 1.86 111.099 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' 1956 ' ' ARG . 28.8 mmtp -68.35 -28.14 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.428 -0.351 . . . . 0.65 111.173 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.827 HG11 ' HB2' ' A' 1865 ' ' ALA . 58.1 t -54.72 -50.03 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-O 120.953 0.406 . . . . 0.27 110.643 175.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 46.6 m -60.01 -33.04 71.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.827 -0.624 . . . . 1.3 110.909 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.411 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 65.6 m80 -71.32 -35.69 71.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.994 -0.548 . . . . 1.11 110.695 178.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' 1960 ' ' LYS . 59.7 t -66.83 -46.96 84.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 121.097 0.475 . . . . 0.35 110.095 176.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 65.9 mt -57.99 -48.19 80.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.706 -0.679 . . . . 0.35 110.284 177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.13 -31.19 69.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.066 -0.516 . . . . 0.4 111.155 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.59 -43.64 93.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.371 -0.377 . . . . 0.46 110.895 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.654 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.0 mm? -69.24 -49.64 54.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.5 110.651 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -59.04 -26.34 64.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.016 -0.538 . . . . 1.7 111.534 -179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . 0.453 ' HA ' ' HG2' ' A' 1973 ' ' ARG . . . -67.74 -21.66 65.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.284 -0.416 . . . . 0.93 111.53 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -68.3 -31.67 74.73 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.783 -0.722 . . . . 2.0 112.679 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 18.9 m120 -105.11 29.04 6.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.781 0.324 . . . . 5.01 111.117 -176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . 0.453 ' HG2' ' HA ' ' A' 1970 ' ' ALA . 24.1 mmm180 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.581 -0.723 . . . . 7.5 109.596 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.672 -0.571 . . . . 21.55 111.672 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 34.5 pt -100.47 16.72 3.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.381 -0.6 . . . . 20.33 109.381 176.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -55.53 128.63 68.68 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 114.859 -1.064 . . . . 19.2 110.84 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . 0.418 ' O ' ' HA ' ' A' 1816 ' ' GLU . 97.5 Cg_endo -82.3 114.5 2.48 Favored 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 122.897 2.398 . . . . 18.2 113.026 -174.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 50.2 p90 -119.7 1.6 11.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 20.33 110.968 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 2.8 m -70.5 -57.8 4.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.503 0.668 . . . . 16.69 109.415 177.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -87.34 -29.97 21.17 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.813 -1.085 . . . . 16.15 108.334 171.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' 1812 ' ' PRO . 36.8 tt0 69.66 102.75 0.06 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 114.25 -1.341 . . . . 14.41 111.878 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -100.06 125.93 46.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.361 -0.836 . . . . 12.08 109.744 175.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -67.55 136.85 55.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.155 0.502 . . . . 10.45 111.606 -177.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 9.2 t -79.96 92.2 5.53 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.747 -0.66 . . . . 8.54 109.298 175.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -85.38 -37.57 19.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.196 -0.456 . . . . 6.8 110.772 -177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -142.29 -65.9 0.4 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.954 -0.566 . . . . 4.72 110.929 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 80.98 -43.73 2.89 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 121.042 -0.599 . . . . 3.52 111.996 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 28.2 m -88.28 -175.38 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.944 0.402 . . . . 2.13 110.879 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.785 HG12 ' HB ' ' A' 1828 ' ' VAL . 48.4 t -117.97 98.09 6.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.011 0.434 . . . . 1.83 110.839 -176.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -138.84 -7.94 1.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 2.1 112.213 177.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -111.98 -48.92 0.65 Allowed Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.679 -0.772 . . . . 0.91 111.875 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.588 ' HB2' HG21 ' A' 1890 ' ' THR . 25.8 ptt? -78.66 -13.29 59.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.743 0.306 . . . . 1.1 111.197 -176.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . 0.785 ' HB ' HG12 ' A' 1824 ' ' VAL . 11.7 p -66.31 -28.03 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.264 0.554 . . . . 0.74 109.603 176.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -61.63 -41.38 97.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.538 -0.756 . . . . 0.87 110.23 176.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 42.4 m -60.36 -37.38 80.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.76 -0.654 . . . . 0.97 111.17 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 54.9 mt -66.2 -47.17 85.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.943 0.401 . . . . 0.32 110.443 178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 14.8 m -62.23 -43.36 98.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.94 -0.573 . . . . 0.61 110.874 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -69.37 -27.9 65.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.418 -0.356 . . . . 2.49 111.039 178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.539 ' HB3' ' HE2' ' A' 1893 ' ' TYR . . . -67.55 -28.99 68.27 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.997 0.427 . . . . 0.34 110.702 176.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 54.5 mt -70.88 -48.8 54.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.421 -0.585 . . . . 0.49 109.421 171.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' A' 1840 ' ' GLU . 30.2 m-80 -59.58 -45.0 93.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.339 -0.846 . . . . 0.72 111.686 -178.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.4 pt20 -59.23 -34.53 72.32 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.583 0.23 . . . . 1.0 111.29 -176.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.478 HD23 ' HG2' ' A' 1901 ' ' LYS . 35.6 mt -76.4 -35.87 58.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.155 0.502 . . . . 0.79 110.733 178.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -72.98 -41.7 64.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.351 -0.84 . . . . 1.79 110.788 -176.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' 1836 ' ' ASN . 43.5 mt-10 -64.23 -46.45 83.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.018 -0.537 . . . . 3.25 111.481 -177.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -175.26 166.05 37.37 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.558 -0.829 . . . . 1.73 112.57 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -88.08 -168.54 0.38 Allowed 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.997 2.465 . . . . 2.43 112.035 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . 0.558 ' SD ' ' HG3' ' A' 1902 ' ' PRO . 26.9 ttt -122.09 112.26 18.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.351 -0.611 . . . . 5.03 109.351 177.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -83.03 155.8 33.46 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.854 -0.688 . . . . 1.86 112.774 -174.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 31.1 t70 52.68 73.12 1.0 Allowed Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 123.248 0.619 . . . . 3.08 110.888 -176.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.46 139.92 79.13 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.633 2.222 . . . . 1.21 112.232 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -74.86 -30.91 61.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.189 0.519 . . . . 2.82 109.757 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -105.3 -176.43 24.28 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.379 -0.688 . . . . 1.14 111.379 175.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 5.8 p -105.46 167.02 10.02 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 110.193 -0.299 . . . . 1.64 110.193 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.529 ' HE1' HD11 ' A' 1916 ' ' ILE . 73.2 t80 -54.37 -42.16 70.01 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.138 0.273 . . . . 0.68 110.731 178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.5 p -63.13 -37.83 80.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-O 120.788 0.328 . . . . 0.79 111.116 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -67.78 -51.16 52.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.433 -0.348 . . . . 1.71 110.253 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -61.28 -43.49 98.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 1.07 110.798 178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.655 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 47.9 tt0 -54.98 -56.95 14.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.99 111.074 178.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 26.2 m -61.37 -33.54 73.83 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.825 -0.625 . . . . 1.46 111.07 -177.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 29.7 m -71.54 -47.1 57.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.289 -0.414 . . . . 0.42 110.674 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 85.7 mtp -65.85 -42.32 90.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.71 112.132 -175.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.694 ' O ' ' HG3' ' A' 1862 ' ' LYS . 25.6 m -64.2 -31.06 51.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.191 -0.604 . . . . 0.29 110.85 -178.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -70.22 -48.49 56.82 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.921 0.391 . . . . 3.02 110.529 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 15.5 m -63.46 -33.17 74.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.911 -0.586 . . . . 0.35 110.913 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.497 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.96 -39.73 94.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.347 -0.388 . . . . 0.25 110.739 177.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.694 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.3 mttt -64.66 -34.99 79.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.021 0.439 . . . . 1.31 110.029 176.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.26 -44.85 90.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.757 -0.656 . . . . 0.41 111.213 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.696 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -73.59 -28.2 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 C-N-CA 120.41 -0.516 . . . . 0.28 109.86 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.87 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -71.15 -42.56 68.99 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 116.286 -0.415 . . . . 0.2 111.473 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.454 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.7 p -69.8 -23.65 25.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.297 0.57 . . . . 0.73 110.027 177.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 91.9 m -74.92 -47.86 27.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.786 -0.643 . . . . 0.25 110.899 174.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.892 HG21 ' HB ' ' A' 1957 ' ' VAL . 5.3 p -66.95 -36.36 76.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.6 0.238 . . . . 0.28 110.905 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.454 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -68.07 -26.71 65.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.28 0.562 . . . . 0.91 109.577 176.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.464 ' HG3' ' HG2' ' A' 1874 ' ' LYS . 7.7 tp10 -77.3 -31.99 55.09 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.11 -0.496 . . . . 0.57 110.085 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.503 ' SD ' HD22 ' A' 1882 ' ' LEU . 7.0 mmt -52.48 -56.13 17.22 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.126 -0.488 . . . . 1.25 111.86 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.424 HG23 HG23 ' A' 1951 ' ' ILE . 3.4 p -55.95 -42.41 71.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.343 0.592 . . . . 0.59 111.082 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 52.4 m -73.62 -40.75 63.57 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.305 -0.861 . . . . 0.44 111.49 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.863 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -73.57 -31.78 63.79 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.626 -0.261 . . . . 1.4 111.682 -178.295 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.64 ' HB3' ' HG3' ' A' 1947 ' ' LYS . 43.1 m -60.01 -30.15 68.96 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 121.556 0.693 . . . . 1.11 110.138 178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -81.86 -32.94 30.85 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.132 -0.94 . . . . 0.76 112.16 -179.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 4.5 p -109.21 -37.12 5.86 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.234 0.828 . . . . 1.32 113.234 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . 0.41 ' HB2' ' HD3' ' A' 1874 ' ' LYS . 75.2 m -150.08 82.49 6.46 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.412 -0.358 . . . . 1.17 110.479 -171.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.58 -20.35 69.24 Favored 'Trans proline' 0 C--N 1.34 0.095 0 C-N-CA 122.569 2.18 . . . . 0.67 112.445 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -75.76 -13.86 60.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.057 -0.52 . . . . 2.24 110.962 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.509 ' O ' ' HG ' ' A' 1885 ' ' LEU . 6.3 mm-40 -80.86 -16.96 52.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.89 111.273 178.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.524 HD12 HD12 ' A' 1937 ' ' LEU . 94.6 mt -65.74 -35.5 80.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.261 -0.427 . . . . 0.34 111.814 -174.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -63.14 -55.33 26.9 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 120.6 -0.809 . . . . 0.38 112.479 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -53.61 -36.1 79.67 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.871 2.38 . . . . 0.58 112.901 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.566 HD11 ' HG3' ' A' 1874 ' ' LYS . 83.8 mt -73.23 -43.64 60.85 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.591 -0.277 . . . . 0.37 110.639 178.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . 0.419 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -57.05 -32.62 66.4 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.682 -0.488 . . . . 0.36 109.682 174.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.88 -48.95 67.17 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.514 -0.766 . . . . 1.43 110.748 178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -68.49 -41.72 79.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.482 -0.326 . . . . 1.07 110.85 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.515 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.7 tp -58.95 -31.12 68.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.17 0.51 . . . . 0.25 109.99 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . 0.588 HG21 ' HB2' ' A' 1827 ' ' MET . 47.7 m -78.6 -49.33 13.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.521 -0.763 . . . . 0.28 111.469 178.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 31.8 p -65.81 -50.65 63.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.384 -0.371 . . . . 1.17 111.785 -173.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.87 -33.74 76.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.171 -0.468 . . . . 0.8 111.372 178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . 0.539 ' HE2' ' HB3' ' A' 1834 ' ' ALA . 67.2 t80 -61.15 -40.83 95.3 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.935 -0.306 . . . . 0.31 110.486 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -54.89 -38.12 64.1 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.06 -0.59 . . . . 0.31 112.045 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -63.96 -52.61 58.89 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.516 -0.55 . . . . 3.04 109.516 178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . . . . . . . . . 50.1 mt -51.86 -51.51 56.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.52 -0.764 . . . . 0.86 111.45 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . 0.581 ' HA ' HG11 ' A' 1920 ' ' VAL . . . -62.0 -40.55 96.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.827 -0.624 . . . . 0.49 112.046 -176.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 70.8 m -75.19 -32.84 61.34 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 111.744 0.276 . . . . 1.38 111.744 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.55 ' O ' ' HD2' ' A' 1902 ' ' PRO . 16.3 mt-30 -77.68 -24.68 49.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.666 0.269 . . . . 1.56 111.667 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . 0.456 ' HB3' HD21 ' A' 1838 ' ' LEU . . . -69.7 -28.59 65.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.34 111.559 -178.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.678 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 58.1 mtpt -61.61 -53.04 65.09 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 112.21 0.448 . . . . 2.27 112.21 -178.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.678 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 12.9 Cg_exo -70.29 -32.94 15.48 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 121.953 1.768 . . . . 0.6 112.123 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.4 -37.15 79.93 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.404 -0.362 . . . . 0.39 111.12 -178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.83 92.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.025 -0.534 . . . . 0.46 111.049 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 44.3 t -75.5 -32.97 26.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.944 -0.571 . . . . 1.26 111.029 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -65.3 -31.17 72.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.64 111.362 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -65.78 153.9 40.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.85 111.139 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -69.02 -30.97 69.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.944 -0.571 . . . . 2.67 112.145 -173.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.668 ' HB3' ' CG1' ' A' 1912 ' ' ILE . 43.6 t-20 -125.38 138.88 54.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.296 -0.411 . . . . 2.18 110.036 -173.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -51.39 -44.36 62.17 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.684 -0.689 . . . . 2.24 111.497 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.4 -38.88 88.48 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.046 0.451 . . . . 2.49 110.868 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.991 ' HA ' ' HB2' ' A' 1972 ' ' ASN . 15.8 mm -58.28 -40.22 76.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.69 -0.686 . . . . 0.89 109.539 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -77.12 -35.77 37.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.02 -0.61 . . . . 0.51 112.248 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.81 85.87 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.562 0.696 . . . . 0.46 110.352 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.671 ' O ' ' HG2' ' A' 1919 ' ' ARG . 26.0 t-80 -63.06 -38.2 90.25 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.871 -1.059 . . . . 1.62 110.377 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.529 HD11 ' HE1' ' A' 1850 ' ' PHE . 95.9 mt -65.23 -54.24 31.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.949 -0.569 . . . . 0.4 110.925 179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -65.02 -34.52 78.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 1.36 111.232 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' A' 1922 ' ' GLU . 17.9 t-80 -69.97 -28.64 65.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.421 -0.354 . . . . 1.91 110.775 -176.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.752 ' HB3' HG22 ' A' 1964 ' ' VAL . 12.8 mmm180 -63.43 -40.55 97.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 2.55 111.166 -179.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.581 HG11 ' HA ' ' A' 1897 ' ' ALA . 24.6 t -71.43 -28.21 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.214 -0.448 . . . . 0.35 110.46 -178.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' 1838 ' ' LEU . 21.2 mm-40 -61.06 -40.35 93.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.206 0.527 . . . . 1.22 109.903 175.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.513 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 16.2 mm-40 -61.67 -42.61 99.15 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.307 -0.861 . . . . 1.49 109.943 178.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' 1923 ' ' LEU . 18.2 mt -64.43 -43.71 93.49 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.25 -0.886 . . . . 0.67 111.148 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.85 -44.46 55.49 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.182 -0.532 . . . . 0.64 112.979 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -65.79 -43.13 89.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.771 0.319 . . . . 0.69 110.64 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -71.45 -53.51 10.07 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.884 -0.674 . . . . 0.25 112.449 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 71.5 m -55.61 -43.41 76.07 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 122.311 0.244 . . . . 1.22 111.146 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 16.5 t -59.78 -49.81 76.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.739 0.304 . . . . 1.03 110.505 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.1 93.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.28 110.992 -177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.622 HD12 HG21 ' A' 1957 ' ' VAL . 0.4 OUTLIER -64.7 -53.34 48.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.021 -0.536 . . . . 0.28 110.667 -178.012 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.419 HG12 ' HA ' ' A' 1886 ' ' ALA . 29.8 m -63.85 -35.19 72.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.26 110.632 -178.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 96.5 m -65.14 -38.4 90.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.041 -0.527 . . . . 0.8 110.778 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.522 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.0 tptt -74.21 -37.84 63.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.12 -0.491 . . . . 1.27 110.269 -178.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . 0.469 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -58.81 -40.21 83.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.877 -0.601 . . . . 0.3 111.107 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.53 -38.92 94.32 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.725 -0.75 . . . . 0.4 111.918 177.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -76.37 -32.81 58.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.698 0.285 . . . . 0.5 111.021 178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.524 HD12 HD12 ' A' 1882 ' ' LEU . 2.9 tm? -68.54 -35.95 78.14 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 109.591 -0.522 . . . . 0.41 109.591 -179.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -67.52 -26.07 66.15 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.773 -0.371 . . . . 1.06 110.984 176.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.9 m -76.72 -18.66 58.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.309 -0.405 . . . . 1.43 110.765 176.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 47.3 m -150.46 69.49 8.78 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.721 -0.474 . . . . 0.8 109.721 177.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.28 -15.5 49.93 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.725 2.283 . . . . 0.69 112.465 -173.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 35.7 t -90.23 -10.77 43.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.585 -0.734 . . . . 1.54 110.92 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 34.2 t70 -83.89 105.53 14.85 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-O 121.435 0.636 . . . . 1.16 110.744 -176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 4.9 m -65.87 -30.09 48.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.018 -0.992 . . . . 1.33 112.257 -177.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -63.34 -49.44 73.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.535 0.207 . . . . 1.91 110.905 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 29.2 m -59.69 -43.14 94.15 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.951 0.405 . . . . 0.6 110.407 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.64 ' HG3' ' HB3' ' A' 1875 ' ' SER . 38.9 ttpt -63.8 -41.85 97.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.575 . . . . 1.2 110.702 178.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.451 ' O ' ' HG3' ' A' 1952 ' ' GLU . 43.8 tttm -50.91 -53.09 35.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 2.67 110.821 177.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.522 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 42.8 mt-10 -63.4 -34.92 78.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.73 -0.668 . . . . 1.53 111.129 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.406 ' HG ' HD23 ' A' 1930 ' ' LEU . 10.0 tt -69.34 -40.19 77.7 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.179 -0.304 . . . . 0.31 110.179 178.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.424 HG23 HG23 ' A' 1872 ' ' VAL . 96.1 mt -55.95 -43.26 74.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.318 0.58 . . . . 0.35 109.721 174.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' 1956 ' ' ARG . 40.8 mt-10 -67.74 -40.31 84.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.552 -0.749 . . . . 2.11 110.755 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' 1957 ' ' VAL . 72.9 m -59.28 -41.74 89.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.725 0.297 . . . . 0.88 110.307 175.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.17 86.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.01 -0.541 . . . . 0.25 110.77 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.603 ' O ' ' HG3' ' A' 1959 ' ' GLU . 96.5 mtt180 -59.98 -51.91 67.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.296 -0.411 . . . . 3.21 110.129 175.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.569 ' O ' ' HG2' ' A' 1960 ' ' LYS . 94.5 mtt180 -59.63 -34.95 73.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.598 -0.728 . . . . 3.16 111.842 -174.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.892 ' HB ' HG21 ' A' 1868 ' ' VAL . 54.1 t -70.72 -50.53 43.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 110.269 -0.271 . . . . 0.3 110.269 177.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 17.7 m -57.31 -38.29 73.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.043 -0.526 . . . . 1.13 111.361 -179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' A' 1955 ' ' ARG . 51.2 mt-10 -60.67 -31.81 71.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.268 0.556 . . . . 1.86 110.766 178.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.663 ' O ' HG23 ' A' 1964 ' ' VAL . 30.2 mmtp -81.52 -38.04 26.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.246 -0.434 . . . . 0.65 110.903 -179.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.87 HG11 ' HB2' ' A' 1865 ' ' ALA . 37.3 t -54.69 -50.45 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 O-C-N 123.305 0.378 . . . . 0.27 111.562 -176.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 15.6 m -59.36 -36.74 76.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.745 0.307 . . . . 1.3 110.944 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 36.6 m80 -70.35 -32.6 70.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.497 -0.32 . . . . 1.11 111.055 176.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.752 HG22 ' HB3' ' A' 1919 ' ' ARG . 59.7 t -69.87 -45.88 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.018 0.437 . . . . 0.35 110.039 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' 1861 ' ' ALA . 70.0 mt -58.22 -47.03 84.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.57 -0.741 . . . . 0.35 111.067 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -58.91 -37.21 76.12 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.4 111.738 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -52.45 -55.62 20.64 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.46 111.033 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.655 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -51.46 -35.99 42.18 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.482 0.919 . . . . 0.5 113.482 -171.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -58.88 -21.34 57.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.694 0.283 . . . . 1.7 111.753 -176.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' 1973 ' ' ARG . . . -134.9 -1.37 2.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.358 -0.383 . . . . 0.93 110.824 178.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . 0.432 ' HA3' ' CG2' ' A' 1912 ' ' ILE . . . 70.03 -66.77 0.68 Allowed Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.306 -1.118 . . . . 2.0 110.306 -163.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . 0.991 ' HB2' ' HA ' ' A' 1912 ' ' ILE . 0.2 OUTLIER -106.81 95.8 5.99 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.105 -0.702 . . . . 5.01 109.105 173.42 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . 0.43 ' HB2' ' HB3' ' A' 1970 ' ' ALA . 75.2 ttt180 . . . . . 0 C--N 1.318 -0.769 0 CA-C-O 118.701 -0.666 . . . . 7.5 109.725 175.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.805 -0.518 . . . . 21.55 111.805 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 45.5 mm 62.24 91.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.37 0.605 . . . . 20.33 110.422 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . 0.553 ' HB2' ' HB ' ' A' 1814 ' ' THR . 16.7 m-20 -97.97 149.57 35.86 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.831 -0.622 . . . . 19.2 111.085 -174.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' 1811 ' ' ASP . 10.3 Cg_exo -71.96 -16.16 29.21 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.93 2.42 . . . . 18.2 111.32 175.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 86.6 t80 -160.61 101.66 1.34 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.387 -0.824 . . . . 20.33 109.45 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . 0.553 ' HB ' ' HB2' ' A' 1811 ' ' ASP . 7.3 t -127.77 108.52 10.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.333 0.587 . . . . 16.69 110.486 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 11.8 t30 68.7 -67.94 0.19 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.134 -0.939 . . . . 16.15 112.158 -179.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -118.46 -54.99 2.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.908 0.385 . . . . 14.41 111.236 -175.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -138.66 -163.86 1.54 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.303 -0.408 . . . . 12.08 110.846 -176.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -96.58 -49.98 4.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.13 0.491 . . . . 10.45 109.95 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 17.1 m -143.46 177.6 8.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.604 -0.725 . . . . 8.54 110.014 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -91.79 -42.07 10.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.476 0.655 . . . . 6.8 109.298 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -129.38 105.27 8.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.259 -0.882 . . . . 4.72 109.837 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -74.64 60.29 2.48 Favored Glycine 0 N--CA 1.453 -0.226 0 CA-C-N 116.099 -0.501 . . . . 3.52 112.758 -178.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . 0.609 HG11 ' HA3' ' A' 1935 ' ' GLY . 4.1 p -176.71 -47.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 122.993 0.517 . . . . 2.13 109.777 -179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.824 HG12 ' HB ' ' A' 1828 ' ' VAL . 59.2 t -133.05 86.85 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.041 -0.527 . . . . 1.83 109.705 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -128.59 -41.61 0.26 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.831 -0.7 . . . . 2.1 111.599 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -78.11 -46.11 9.59 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.778 -0.725 . . . . 0.91 112.516 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.625 ' HE2' HG22 ' A' 1824 ' ' VAL . 24.7 ptt? -79.2 -18.91 52.1 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.651 -0.419 . . . . 1.1 111.541 -175.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . 0.824 ' HB ' HG12 ' A' 1824 ' ' VAL . 8.3 p -71.28 -23.89 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.254 0.549 . . . . 0.74 109.797 178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 25.1 t70 -64.96 -32.62 74.43 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.728 -0.669 . . . . 0.87 109.888 176.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 68.5 m -64.26 -37.26 86.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.807 -0.633 . . . . 0.97 110.693 177.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.555 ' O ' HG13 ' A' 1835 ' ' ILE . 54.5 mt -70.39 -46.28 71.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.391 -0.368 . . . . 0.32 110.132 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 25.5 m -58.99 -40.42 84.77 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.185 -0.461 . . . . 0.61 110.47 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 25.7 tm0? -60.83 -47.42 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.83 -0.623 . . . . 2.49 110.003 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . . . . . . . . . . . -60.57 -32.71 71.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.69 -0.686 . . . . 0.34 111.663 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . 0.751 ' HA ' ' NE2' ' A' 1921 ' ' GLN . 61.7 mt -65.49 -43.53 94.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.958 0.409 . . . . 0.49 110.747 178.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -78.09 -43.58 28.67 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.33 0.493 . . . . 0.72 112.33 -176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -54.52 -38.01 66.04 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 113.114 0.783 . . . . 1.0 113.114 -170.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.605 HD12 ' CD ' ' A' 1921 ' ' GLN . 86.5 mt -68.31 -37.82 80.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.748 0.309 . . . . 0.79 111.802 -172.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.1 -37.34 16.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.405 -0.361 . . . . 1.79 110.758 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -70.58 -70.37 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.168 -0.469 . . . . 3.25 111.328 -176.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -135.98 82.27 0.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.507 -0.854 . . . . 1.73 112.839 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.85 123.25 4.6 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 122.435 2.09 . . . . 2.43 111.657 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 16.1 tpt -56.83 110.42 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 5.03 110.697 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . 0.929 ' HA2' HG21 ' A' 1905 ' ' VAL . . . -91.95 40.51 2.9 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.141 -0.552 . . . . 1.86 113.473 -175.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -129.94 84.05 61.88 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 121.061 0.458 . . . . 3.08 109.893 174.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.81 141.28 36.96 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.546 2.164 . . . . 1.21 112.456 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -108.04 22.13 16.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.335 0.588 . . . . 2.82 109.903 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -152.8 153.25 24.74 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.59 -0.732 . . . . 1.14 111.715 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 5.6 p -80.87 44.07 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.07 0.396 . . . . 1.64 112.07 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 85.5 t80 70.29 -57.38 0.57 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.586 0.754 . . . . 0.68 111.042 -177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 9.9 p -58.0 -34.04 47.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.889 0.376 . . . . 0.79 110.909 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.07 -50.48 73.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.974 -0.557 . . . . 1.71 110.763 177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -73.47 -32.71 64.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.335 -0.393 . . . . 1.07 110.693 179.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.611 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 56.9 tt0 -54.09 -53.26 55.58 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.081 -0.509 . . . . 0.99 111.226 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 11.5 t -68.34 -30.88 69.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.86 0.362 . . . . 1.46 110.964 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 17.8 m -69.88 -41.79 74.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.061 0.458 . . . . 0.42 110.716 176.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 73.3 mtp -68.59 -47.13 67.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 0.71 111.489 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.649 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.4 m -59.69 -36.99 68.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 C-N-CA 120.468 -0.493 . . . . 0.29 110.968 -178.192 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' 1859 ' ' ARG . 48.1 mtm105 -65.35 -45.99 81.95 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.713 0.292 . . . . 3.02 110.767 178.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.663 ' HB ' HD23 ' A' 1896 ' ' LEU . 10.0 m -69.83 -33.63 72.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.081 -0.509 . . . . 0.35 110.947 -178.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.561 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.92 -45.79 90.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.745 0.307 . . . . 0.25 110.415 176.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.649 ' HG3' ' O ' ' A' 1858 ' ' VAL . 58.0 mttm -61.37 -32.99 72.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.942 0.401 . . . . 1.31 110.46 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.16 -36.47 84.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.41 111.398 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.697 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -79.76 -27.46 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.469 -0.493 . . . . 0.28 109.928 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.83 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.11 -40.78 74.71 Favored 'General case' 0 CA--C 1.523 -0.093 0 CA-C-N 116.115 -0.493 . . . . 0.2 111.286 -179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.427 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.9 p -67.73 -28.5 41.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.989 0.423 . . . . 0.73 110.009 176.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.603 ' O ' ' HG3' ' A' 1871 ' ' MET . 90.9 m -69.79 -52.42 25.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.25 110.807 175.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.662 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.5 p -63.72 -36.45 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.609 0.243 . . . . 0.28 110.951 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -67.96 -26.21 65.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.144 0.497 . . . . 0.91 109.877 177.236 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' 1869 ' ' GLN . 8.1 tp10 -76.98 -38.48 53.09 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.564 -0.532 . . . . 0.57 109.564 176.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' 1867 ' ' THR . 82.1 mtp -62.16 -43.04 99.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 1.25 110.95 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 13.9 p -63.24 -39.08 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.502 . . . . 0.59 110.455 179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 26.1 m -71.37 -48.97 46.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.743 -0.662 . . . . 0.44 110.999 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.853 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 7.4 mmpt? -65.75 -29.08 69.54 Favored 'General case' 0 C--O 1.218 -0.602 0 CA-C-N 116.233 -0.439 . . . . 1.4 111.699 -177.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 27.8 t -61.54 -24.65 66.77 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.637 -0.425 . . . . 1.11 110.78 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -78.24 -38.95 41.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.76 111.429 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 17.1 p -108.19 -40.11 5.28 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.107 0.78 . . . . 1.32 113.107 -172.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 64.4 m -138.84 85.57 16.38 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.373 -0.376 . . . . 1.17 111.291 -170.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -62.87 -20.82 72.32 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.44 2.093 . . . . 0.67 112.064 178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.84 -20.29 63.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 2.24 111.229 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' 1885 ' ' LEU . 16.4 mm-40 -80.87 -15.5 56.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.561 -0.29 . . . . 1.89 111.4 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.652 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 85.7 mt -65.31 -38.11 89.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.456 -0.338 . . . . 0.34 111.747 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.69 -54.72 31.69 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 120.855 -0.688 . . . . 0.38 113.018 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.08 -40.13 87.42 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.703 2.269 . . . . 0.58 112.836 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.8 mt -72.64 -40.23 66.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.698 -0.228 . . . . 0.37 110.913 -179.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.27 -37.79 70.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.215 0.531 . . . . 0.36 110.177 175.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -69.72 -40.06 76.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.924 -0.58 . . . . 1.43 110.616 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -71.04 -41.76 70.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.612 -0.722 . . . . 1.07 110.795 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.401 HD12 ' HB ' ' A' 1864 ' ' ILE . 52.6 tp -58.63 -39.42 80.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.25 109.732 175.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 51.6 m -65.75 -50.01 66.32 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.365 -0.834 . . . . 0.28 111.609 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 76.2 p -66.45 -49.6 66.16 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.82 0.343 . . . . 1.17 110.944 -173.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.562 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.1 m-20 -60.02 -37.91 81.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.825 -0.625 . . . . 0.8 111.351 177.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . 0.438 ' CE2' HG23 ' A' 1831 ' ' ILE . 74.8 t80 -61.62 -47.57 84.85 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.033 -0.267 . . . . 0.31 110.697 177.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.46 -38.76 81.65 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.859 -0.686 . . . . 0.31 111.898 178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.477 ' O ' ' HG3' ' A' 1899 ' ' GLN . 76.9 mtp180 -66.83 -50.15 63.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.02 0.438 . . . . 3.04 110.409 177.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.663 HD23 ' HB ' ' A' 1860 ' ' THR . 1.7 tm? -60.77 -38.61 85.85 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.558 -0.746 . . . . 0.86 110.707 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . 0.402 ' O ' HD21 ' A' 1838 ' ' LEU . . . -66.4 -32.7 74.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.49 111.286 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 51.9 m -67.52 -34.87 77.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 1.38 110.792 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' 1895 ' ' ARG . 66.8 mt-30 -72.83 -24.84 60.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.823 -0.626 . . . . 1.56 111.092 -175.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -68.5 -26.51 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.067 -0.515 . . . . 0.34 112.031 -176.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.47 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 55.5 mtmt -66.51 -59.11 8.75 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.622 -0.263 . . . . 2.27 111.707 -177.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.47 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 35.5 Cg_endo -66.37 -29.58 45.66 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 121.657 1.571 . . . . 0.6 112.204 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.73 -45.94 87.61 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.88 0.371 . . . . 0.39 110.574 178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.87 -38.45 82.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.701 -0.681 . . . . 0.46 111.476 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.929 HG21 ' HA2' ' A' 1844 ' ' GLY . 43.8 t -75.73 -36.42 33.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.941 -0.572 . . . . 1.26 111.137 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -72.3 -17.43 61.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.296 -0.411 . . . . 0.64 112.019 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -67.83 166.63 15.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.823 0.344 . . . . 0.85 110.976 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.19 -39.06 13.81 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.462 -0.336 . . . . 2.67 111.269 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.456 ' HB3' HG12 ' A' 1912 ' ' ILE . 10.9 t30 -110.12 132.84 53.8 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.149 -0.315 . . . . 2.18 110.149 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -58.93 -41.52 87.52 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.275 -0.421 . . . . 2.24 112.018 -174.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.403 ' HB2' ' ND2' ' A' 1909 ' ' ASN . 7.6 mp0 -62.41 -22.47 66.2 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.634 0.254 . . . . 2.49 111.158 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.456 HG12 ' HB3' ' A' 1909 ' ' ASN . 37.9 mm -73.65 -47.79 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.451 -0.574 . . . . 0.89 109.451 177.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -63.4 -39.96 98.34 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.782 -0.723 . . . . 0.51 111.646 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.5 87.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.037 0.446 . . . . 0.46 110.357 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.8 t-160 -64.44 -43.23 94.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.874 -0.603 . . . . 1.62 110.175 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . . . . . . . . . 83.7 mt -57.91 -55.08 23.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.161 -0.472 . . . . 0.4 111.169 179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.487 ' O ' ' HG2' ' A' 1921 ' ' GLN . 20.0 ptpt -65.36 -39.4 92.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 1.36 111.405 -175.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 62.4 m170 -71.82 -29.49 64.48 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.887 0.329 . . . . 1.91 111.887 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.611 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 2.4 mmp_? -70.09 -31.62 69.27 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.715 -0.394 . . . . 2.55 110.601 178.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 80.8 t -64.75 -32.92 60.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.241 0.543 . . . . 0.35 110.345 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.751 ' NE2' ' HA ' ' A' 1835 ' ' ILE . 4.5 mm100 -70.57 -22.28 62.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.744 -0.662 . . . . 1.22 111.19 -175.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.665 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 17.5 mm-40 -55.63 -37.72 68.56 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.135 -0.691 . . . . 1.49 109.135 169.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.707 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.9 mt -77.98 -34.96 50.64 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.839 -0.619 . . . . 0.67 109.531 174.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . 0.407 ' O ' HD11 ' A' 1835 ' ' ILE . . . -51.24 -34.47 32.85 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 120.498 -0.858 . . . . 0.64 112.078 174.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -85.18 -55.2 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.678 -0.307 . . . . 0.69 110.521 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -65.07 -49.62 61.41 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.26 -0.495 . . . . 0.25 113.698 -175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.707 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 89.5 m -64.49 -39.31 93.56 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.855 0.327 . . . . 1.22 110.806 -177.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . 0.49 ' HB2' HG21 ' A' 1831 ' ' ILE . 7.8 t -60.7 -43.63 97.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.22 0.533 . . . . 1.03 109.79 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.61 -43.25 80.9 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.509 -0.768 . . . . 0.28 110.743 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.557 HD11 HG23 ' A' 1868 ' ' VAL . 0.3 OUTLIER -58.58 -52.95 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.977 -0.556 . . . . 0.28 110.857 -178.523 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.408 HG23 HG11 ' A' 1824 ' ' VAL . 18.4 m -64.38 -33.87 65.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.929 0.395 . . . . 0.26 110.936 -177.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 87.3 m -68.99 -44.43 72.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.04 -0.527 . . . . 0.8 110.254 176.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.621 ' HE3' HG23 ' A' 1946 ' ' THR . 41.1 tptt -65.59 -39.84 92.04 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.816 -0.629 . . . . 1.27 110.654 -177.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . 0.652 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -60.9 -43.41 98.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.366 -0.379 . . . . 0.3 110.987 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . 0.609 ' HA3' HG11 ' A' 1823 ' ' VAL . . . -61.35 -43.28 99.56 Favored Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.625 -0.798 . . . . 0.4 111.82 177.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -70.21 -26.52 63.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.361 . . . . 0.5 111.013 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.611 HD12 HD12 ' A' 1882 ' ' LEU . 3.2 tm? -74.19 -40.57 62.41 Favored 'General case' 0 C--O 1.219 -0.5 0 N-CA-C 109.715 -0.476 . . . . 0.41 109.715 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.416 ' O ' ' HD3' ' A' 1941 ' ' PRO . 22.3 mt-30 -65.02 -25.87 68.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.823 0.344 . . . . 1.06 111.147 178.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 78.7 m -70.11 -27.97 65.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.17 -0.468 . . . . 1.43 110.539 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 67.7 m -144.53 69.62 15.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 109.604 -0.517 . . . . 0.8 109.604 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' 1938 ' ' GLN . 49.6 Cg_endo -68.38 -4.08 12.18 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.939 2.426 . . . . 0.69 112.675 -173.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 42.6 t -93.38 -13.37 28.13 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.885 -0.598 . . . . 1.54 110.399 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 33.6 t70 -82.81 115.2 21.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.128 0.49 . . . . 1.16 110.574 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 45.0 t -75.79 -29.48 20.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.837 -0.619 . . . . 1.33 110.87 -176.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.527 ' O ' ' HG3' ' A' 1949 ' ' GLU . 38.3 t80 -60.63 -52.77 63.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.203 -0.453 . . . . 1.91 110.28 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.621 HG23 ' HE3' ' A' 1933 ' ' LYS . 32.8 m -60.27 -40.29 89.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.46 . . . . 0.6 110.849 177.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -62.72 -46.26 88.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.961 -0.563 . . . . 1.2 110.677 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -58.1 -44.23 87.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 2.67 110.409 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.527 ' HG3' ' O ' ' A' 1945 ' ' TYR . 44.0 mt-10 -59.73 -37.85 80.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.716 -0.674 . . . . 1.53 111.153 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.58 -40.66 69.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.625 -0.262 . . . . 0.31 110.942 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . . . . . . . . . 80.5 mt -55.41 -45.12 78.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.35 111.055 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' 1956 ' ' ARG . 8.6 pt-20 -72.88 -36.1 67.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.637 -0.256 . . . . 2.11 110.916 179.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.51 ' O ' HG23 ' A' 1957 ' ' VAL . 87.4 m -60.25 -42.76 95.98 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.619 0.247 . . . . 0.88 110.51 176.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.94 95.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.25 110.966 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.48 ' O ' ' HG3' ' A' 1959 ' ' GLU . 78.1 mtt180 -60.39 -46.13 91.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 3.21 110.425 176.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' 1952 ' ' GLU . 50.7 mtp180 -59.77 -44.56 93.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.694 -0.685 . . . . 3.16 111.37 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.662 ' HB ' HG21 ' A' 1868 ' ' VAL . 85.7 t -62.38 -44.05 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.342 -0.39 . . . . 0.3 110.766 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 37.9 m -57.4 -35.78 70.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.103 -0.499 . . . . 1.13 111.212 179.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.8 mt-10 -70.5 -31.26 68.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.312 0.577 . . . . 1.86 110.683 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.665 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.2 mmtt -71.33 -37.66 71.73 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.01 -0.541 . . . . 0.65 110.676 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.83 HG11 ' HB2' ' A' 1865 ' ' ALA . 21.7 t -55.99 -42.23 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 O-C-N 123.411 0.445 . . . . 0.27 110.854 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 12.1 m -57.95 -37.61 74.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.001 -0.545 . . . . 1.3 110.965 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.402 ' HB3' ' HD3' ' A' 1919 ' ' ARG . 76.1 m80 -77.25 -30.71 54.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.96 -0.563 . . . . 1.11 110.782 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' 1960 ' ' LYS . 60.9 t -66.24 -49.02 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.115 0.483 . . . . 0.35 109.794 175.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . . . . . . . . . 61.3 mt -57.68 -48.82 78.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.457 -0.792 . . . . 0.35 110.765 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.2 68.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.876 -0.602 . . . . 0.4 111.704 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . 0.549 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -62.54 -30.82 71.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.474 -0.33 . . . . 0.46 111.282 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.611 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.1 mm? -70.4 -51.14 31.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.38 . . . . 0.5 110.749 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . 0.476 ' HG2' ' HD2' ' A' 1973 ' ' ARG . 16.2 mp0 -72.04 -16.85 62.05 Favored 'General case' 0 C--N 1.332 -0.183 0 C-N-CA 120.968 -0.293 . . . . 1.7 110.836 -179.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -60.18 -32.93 71.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.091 -0.504 . . . . 0.93 110.719 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -78.01 -74.53 1.01 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.683 -0.77 . . . . 2.0 111.413 176.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 7.4 m120 -140.14 147.34 40.04 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.084 -0.339 . . . . 5.01 110.084 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . 0.476 ' HD2' ' HG2' ' A' 1969 ' ' GLN . 75.6 ttt180 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.262 -0.875 . . . . 7.5 110.008 177.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.084 -0.406 . . . . 21.55 112.084 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 9.9 tp -155.16 146.31 13.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.737 -0.468 . . . . 20.33 109.737 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -74.78 145.17 81.22 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.84 -0.43 . . . . 19.2 109.84 177.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -44.58 -61.85 0.53 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.557 2.838 . . . . 18.2 113.592 -174.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 68.4 t80 -123.55 95.61 4.65 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.902 0.382 . . . . 20.33 110.308 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 9.8 t -76.01 126.22 30.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.068 -0.716 . . . . 16.69 109.068 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 49.7 t30 -122.92 127.08 48.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.118 -0.492 . . . . 16.15 110.78 -173.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -93.0 147.23 23.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.288 -0.415 . . . . 14.41 110.209 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -159.46 178.81 9.51 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.258 -0.645 . . . . 12.08 109.258 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -76.83 71.2 3.36 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.29 0.567 . . . . 10.45 110.278 179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 43.0 t -175.41 -58.56 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.359 -0.837 . . . . 8.54 110.067 -177.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 65.32 -71.6 0.08 Allowed 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.855 0.722 . . . . 6.8 110.639 -174.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -153.38 -44.52 0.09 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.024 -0.732 . . . . 4.72 109.024 174.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 78.5 -9.87 33.0 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 115.722 -0.672 . . . . 3.52 113.571 171.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 37.4 t -75.11 -54.37 14.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.007 0.432 . . . . 2.13 110.788 -176.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.658 HG11 ' HB ' ' A' 1931 ' ' VAL . 46.4 t -123.88 -0.11 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.07 -0.514 . . . . 1.83 110.624 -175.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -56.45 -37.14 73.18 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-N 116.014 -0.539 . . . . 2.1 112.848 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -85.72 -23.57 45.82 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.664 -0.779 . . . . 0.91 112.101 178.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.544 ' HB3' HG21 ' A' 1890 ' ' THR . 62.2 mtm -78.42 -40.64 35.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.53 0.205 . . . . 1.1 111.458 -177.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 14.9 p -61.61 -27.65 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.281 0.562 . . . . 0.74 110.099 178.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 29.4 t70 -62.31 -44.56 96.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.568 -0.742 . . . . 0.87 110.376 175.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 16.0 t -61.57 -45.61 93.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.953 -0.567 . . . . 0.97 110.337 178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.414 ' O ' HG13 ' A' 1835 ' ' ILE . 59.6 mt -59.78 -44.01 92.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.861 -0.609 . . . . 0.32 110.492 179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . 0.429 ' O ' ' HB ' ' A' 1835 ' ' ILE . 29.2 m -67.34 -41.99 84.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.93 -0.577 . . . . 0.61 111.109 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -62.67 -38.44 90.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.229 0.537 . . . . 2.49 110.478 179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' A' 1897 ' ' ALA . . . -63.19 -27.91 69.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.575 -0.739 . . . . 0.34 111.16 178.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . 0.49 ' HA ' HE22 ' A' 1921 ' ' GLN . 75.4 mt -64.2 -43.13 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.145 0.498 . . . . 0.49 110.381 175.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . 0.449 HD22 ' N ' ' A' 1836 ' ' ASN . 0.9 OUTLIER -64.92 -41.95 95.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.629 -0.714 . . . . 0.72 111.754 -173.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' 1834 ' ' ALA . 29.2 pt20 -66.22 -34.88 79.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.873 -173.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.594 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 97.3 mt -69.85 -42.08 74.03 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.449 -0.342 . . . . 0.79 111.569 -173.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 32.3 t70 -87.41 -2.78 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.355 0.598 . . . . 1.79 109.998 -178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.1 -72.74 0.55 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.788 -0.642 . . . . 3.25 110.031 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . 0.452 ' HA2' ' HD3' ' A' 1842 ' ' PRO . . . -160.71 122.26 1.1 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.872 -0.68 . . . . 1.73 112.197 -178.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . 0.452 ' HD3' ' HA2' ' A' 1841 ' ' GLY . 3.9 Cg_exo -80.04 163.85 22.7 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.191 2.594 . . . . 2.43 111.903 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . 0.662 ' H ' ' HB3' ' A' 1901 ' ' LYS . 73.6 mtm -76.08 121.45 22.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.456 -0.338 . . . . 5.03 110.32 177.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -80.62 -173.21 46.54 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.745 -0.741 . . . . 1.86 111.733 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 56.27 73.25 0.85 Allowed Pre-proline 0 C--N 1.328 -0.367 0 C-N-CA 122.644 0.378 . . . . 3.08 110.617 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -65.71 106.8 0.96 Allowed 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.123 1.882 . . . . 1.21 111.63 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.67 -7.16 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.399 0.619 . . . . 2.82 110.615 -178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -137.39 177.63 19.68 Favored Glycine 0 N--CA 1.442 -0.907 0 N-CA-C 110.865 -0.894 . . . . 1.14 110.865 176.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 28.7 m -95.56 164.08 12.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.953 0.377 . . . . 1.64 110.1 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.501 ' HE1' HD11 ' A' 1916 ' ' ILE . 87.8 t80 -54.92 -37.29 66.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.072 -0.513 . . . . 0.68 111.088 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.0 p -56.29 -38.45 55.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.261 -0.427 . . . . 0.79 111.675 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.18 -50.5 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.684 0.278 . . . . 1.71 110.485 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.49 -36.89 83.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.244 -0.434 . . . . 1.07 110.296 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.697 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 33.4 tt0 -57.74 -53.61 56.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.887 -0.597 . . . . 0.99 110.444 175.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 32.6 m -62.08 -31.3 71.72 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 115.746 -0.661 . . . . 1.46 111.343 -177.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . 0.403 ' HA ' HH21 ' A' 1859 ' ' ARG . 20.2 m -78.19 -44.31 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.961 -0.296 . . . . 0.42 111.006 178.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 71.9 mtp -63.98 -44.29 93.15 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.16 0.43 . . . . 0.71 112.16 -177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' 1862 ' ' LYS . 34.8 m -60.73 -36.03 68.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.716 -0.394 . . . . 0.29 110.954 -177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.403 HH21 ' HA ' ' A' 1856 ' ' THR . 61.7 mtm180 -67.0 -41.2 87.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.753 0.311 . . . . 3.02 110.828 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.523 ' HB ' HD21 ' A' 1896 ' ' LEU . 4.0 m -72.87 -36.56 67.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.289 -0.414 . . . . 0.35 110.981 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.544 ' O ' HG13 ' A' 1864 ' ' ILE . . . -63.48 -50.38 69.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.915 0.388 . . . . 0.25 110.795 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' 1858 ' ' VAL . 54.0 mtmt -61.89 -24.68 67.1 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.054 0.454 . . . . 1.31 110.903 175.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . 0.421 ' O ' HG12 ' A' 1866 ' ' VAL . . . -72.69 -37.98 67.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.3 -0.409 . . . . 0.41 111.29 177.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.644 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -79.43 -24.27 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.597 -0.441 . . . . 0.28 110.26 178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.863 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -69.01 -32.65 72.35 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.035 -0.53 . . . . 0.2 111.659 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.443 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.8 p -74.55 -26.9 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.482 -0.487 . . . . 0.73 109.938 176.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.605 ' O ' ' HG3' ' A' 1871 ' ' MET . 46.6 m -68.8 -53.39 21.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.933 -0.576 . . . . 0.25 110.612 176.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.867 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.3 p -61.08 -40.51 85.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.674 0.273 . . . . 0.28 111.286 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.443 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.04 -25.96 67.29 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.213 0.53 . . . . 0.91 110.109 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' 1869 ' ' GLN . 9.2 tp10 -77.55 -40.51 42.24 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 116.105 -0.498 . . . . 0.57 109.974 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.605 ' HG3' ' O ' ' A' 1867 ' ' THR . 84.9 mtp -60.81 -38.33 85.05 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.352 -0.385 . . . . 1.25 111.738 -174.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.457 HG23 HG23 ' A' 1951 ' ' ILE . 7.7 p -63.3 -38.32 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.394 0.616 . . . . 0.59 110.843 178.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 54.7 m -78.96 -37.48 39.44 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.483 -0.781 . . . . 0.44 110.912 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.866 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 9.0 mmpt? -70.81 -38.03 73.27 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 116.073 -0.512 . . . . 1.4 112.205 -176.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 10.1 p -61.4 -26.94 68.19 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.174 0.511 . . . . 1.11 110.713 -179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . 0.436 HD21 HD11 ' A' 1951 ' ' ILE . 28.0 m-80 -81.48 -25.78 35.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.594 -0.73 . . . . 0.76 111.779 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 4.5 p -108.61 -50.41 3.03 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.215 0.45 . . . . 1.32 112.215 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . 0.402 ' HA ' ' HD2' ' A' 1879 ' ' PRO . 4.7 t -141.86 91.87 8.04 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.228 -0.656 . . . . 1.17 109.228 -173.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' 1878 ' ' SER . 23.9 Cg_endo -60.94 -26.05 82.5 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.829 2.352 . . . . 0.67 113.176 -175.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' 1880 ' ' GLU . 1.0 OUTLIER -80.57 -8.52 59.62 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.78 -0.368 . . . . 2.24 111.199 -178.64 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' 1885 ' ' LEU . 28.6 mt-10 -80.83 -9.69 59.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 1.89 110.557 174.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.468 ' HB3' ' HB1' ' A' 1934 ' ' ALA . 96.5 mt -69.43 -34.54 74.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.34 111.418 -179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . 0.43 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -59.0 -55.61 29.92 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 121.019 -0.61 . . . . 0.38 113.484 -178.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' 1883 ' ' GLY . 11.1 Cg_endo -57.68 -32.23 94.06 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.444 2.096 . . . . 0.58 112.574 177.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.663 HD11 ' HG3' ' A' 1874 ' ' LYS . 80.2 mt -76.04 -44.55 38.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.415 -0.357 . . . . 0.37 110.788 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . 0.511 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -56.48 -34.18 66.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.273 0.559 . . . . 0.36 109.795 174.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -70.37 -45.25 66.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.476 -0.784 . . . . 1.43 110.864 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -71.83 -36.29 70.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 1.07 110.759 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 36.0 tp -63.53 -32.97 74.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.575 -0.528 . . . . 0.25 109.575 176.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . 0.544 HG21 ' HB3' ' A' 1827 ' ' MET . 39.3 m -71.85 -51.28 23.19 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.533 -0.758 . . . . 0.28 111.352 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 20.2 p -63.96 -51.29 65.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.247 -0.433 . . . . 1.17 111.659 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.491 ' HB3' HG22 ' A' 1864 ' ' ILE . 1.1 m-20 -64.42 -31.21 72.33 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.822 -0.626 . . . . 0.8 111.744 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . 0.444 ' HE2' ' HB3' ' A' 1834 ' ' ALA . 72.0 t80 -62.94 -41.43 99.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.825 -0.35 . . . . 0.31 110.305 175.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.22 -30.04 63.69 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 121.014 -0.612 . . . . 0.31 112.082 178.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.88 -53.02 36.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.669 -0.493 . . . . 3.04 109.669 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.523 HD21 ' HB ' ' A' 1860 ' ' THR . 19.4 mt -60.39 -41.19 93.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.054 -0.521 . . . . 0.86 111.444 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . 0.54 ' HB1' ' HB1' ' A' 1834 ' ' ALA . . . -61.39 -27.58 68.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 0.49 111.302 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 37.7 m -84.74 -40.22 17.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.355 -0.384 . . . . 1.38 110.499 178.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.515 ' O ' ' HD2' ' A' 1902 ' ' PRO . 23.5 mt-30 -73.71 -27.38 61.17 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.849 -0.614 . . . . 1.56 112.134 -175.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.52 -25.63 68.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.861 0.363 . . . . 0.34 111.634 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.662 ' HB3' ' H ' ' A' 1843 ' ' MET . 59.6 mtmt -70.03 -55.03 8.91 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 116.336 -0.393 . . . . 2.27 111.844 -178.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.657 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 24.0 Cg_exo -64.05 -29.91 66.0 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 121.967 1.778 . . . . 0.6 112.042 175.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.17 -40.83 96.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.342 -0.39 . . . . 0.39 110.65 177.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -62.95 -43.65 98.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.879 -0.601 . . . . 0.46 111.472 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 9.4 p -75.69 -26.4 18.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.868 0.365 . . . . 1.26 111.145 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -77.5 -18.23 57.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.64 110.98 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.5 143.89 51.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.025 -0.534 . . . . 0.85 110.181 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.52 -3.75 58.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.859 0.361 . . . . 2.67 111.228 -176.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.451 ' HB3' HG12 ' A' 1912 ' ' ILE . 7.2 t30 -135.78 131.62 35.72 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.922 -0.399 . . . . 2.18 109.922 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.99 -45.54 94.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.34 -0.391 . . . . 2.24 111.379 -174.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' 1915 ' ' HIS . 2.5 mp0 -58.69 -21.18 53.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.539 -0.301 . . . . 2.49 111.237 -178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.451 HG12 ' HB3' ' A' 1909 ' ' ASN . 43.1 mm -77.11 -48.58 24.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.763 -0.458 . . . . 0.89 109.763 176.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.56 -41.01 99.48 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.778 -0.725 . . . . 0.51 111.467 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.84 91.04 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.331 0.586 . . . . 0.46 110.457 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.584 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.4 t-160 -63.97 -46.48 84.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.424 -0.807 . . . . 1.62 110.279 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.501 HD11 ' HE1' ' A' 1850 ' ' PHE . 89.0 mt -58.55 -54.62 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.4 111.119 179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.675 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.8 ptpt -61.14 -37.98 84.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 1.36 110.751 -177.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . 0.592 ' HD2' ' HG3' ' A' 1917 ' ' LYS . 4.4 m-70 -75.46 -25.05 57.1 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.268 0.469 . . . . 1.91 112.268 -177.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.673 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 0.5 OUTLIER -74.75 -31.12 61.71 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.278 -0.569 . . . . 2.55 110.48 175.155 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 32.4 t -73.14 -23.23 19.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.62 -0.511 . . . . 0.35 109.62 173.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.675 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.1 mm-40 -64.21 -36.89 85.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.344 0.592 . . . . 1.22 109.526 172.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' 1919 ' ' ARG . 7.7 mm-40 -59.1 -49.08 79.23 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.187 -0.915 . . . . 1.49 109.592 174.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.03 -41.58 96.84 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 115.206 -0.906 . . . . 0.67 110.537 175.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -52.54 -53.15 33.63 Favored Glycine 0 C--O 1.223 -0.574 0 C-N-CA 121.184 -0.531 . . . . 0.64 112.703 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -75.11 -37.17 61.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 117.129 0.464 . . . . 0.69 111.027 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.06 -54.13 19.06 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.933 -0.651 . . . . 0.25 112.438 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.454 ' O ' HG22 ' A' 1931 ' ' VAL . 72.0 m -61.36 -40.4 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.375 -0.231 . . . . 1.22 110.375 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 9.5 m -53.91 -52.01 61.92 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 120.872 0.368 . . . . 1.03 110.934 174.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.98 -44.22 97.19 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.905 -0.589 . . . . 0.28 111.043 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.538 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.46 -53.1 60.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.28 111.044 -177.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.658 ' HB ' HG11 ' A' 1824 ' ' VAL . 33.3 m -66.05 -31.25 52.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.851 0.358 . . . . 0.26 111.0 -177.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 98.8 m -70.0 -44.01 70.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.158 0.504 . . . . 0.8 110.442 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.473 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 40.4 tptt -65.03 -40.68 95.18 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.776 -0.647 . . . . 1.27 110.194 -178.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' 1882 ' ' LEU . . . -59.7 -41.07 89.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.014 -0.539 . . . . 0.3 111.346 176.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.9 -42.81 98.38 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.866 -0.683 . . . . 0.4 111.934 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.15 -33.69 63.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.644 0.259 . . . . 0.5 110.917 178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.08 -40.29 86.97 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 109.768 -0.456 . . . . 0.41 109.768 -178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.09 -25.67 68.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.758 0.313 . . . . 1.06 111.334 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 79.4 m -77.19 -15.15 59.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.418 -0.356 . . . . 1.43 111.163 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 56.3 m -153.89 66.66 5.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 109.335 -0.617 . . . . 0.8 109.335 176.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.04 -14.98 48.25 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.195 2.597 . . . . 0.69 113.191 -170.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 49.0 m -87.84 -13.79 41.19 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.02 -0.536 . . . . 1.54 112.028 -174.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -78.92 117.99 20.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.123 0.487 . . . . 1.16 110.421 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 26.0 t -71.95 -34.52 51.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.692 -0.685 . . . . 1.33 111.32 -175.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.402 ' O ' ' HG3' ' A' 1949 ' ' GLU . 65.4 t80 -63.27 -49.94 72.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.518 -0.31 . . . . 1.91 110.99 -177.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 20.2 m -59.89 -41.86 92.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.065 0.46 . . . . 0.6 110.609 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.416 ' HB3' ' HE2' ' A' 1947 ' ' LYS . 36.7 ttpt -65.68 -42.9 90.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.697 -0.683 . . . . 1.2 110.539 179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' 1952 ' ' GLU . 4.0 ttmp? -58.59 -41.16 85.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.766 -0.652 . . . . 2.67 110.792 178.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.473 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 29.4 mt-10 -67.89 -34.48 76.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.42 -0.354 . . . . 1.53 111.158 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.2 tt -65.9 -37.87 87.24 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.726 -0.472 . . . . 0.31 109.726 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.504 ' O ' ' HG2' ' A' 1955 ' ' ARG . 86.2 mt -55.45 -45.0 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.996 -0.547 . . . . 0.35 109.891 174.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.473 ' HG3' ' O ' ' A' 1948 ' ' LYS . 35.9 mt-10 -65.05 -40.63 95.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.621 -0.718 . . . . 2.11 110.622 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . . . . . . . . . 73.1 m -59.98 -41.14 91.39 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.906 0.384 . . . . 0.88 110.534 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.33 92.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.944 -0.571 . . . . 0.25 111.116 178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' 1951 ' ' ILE . 28.7 mmt180 -59.31 -44.35 92.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.015 0.436 . . . . 3.21 109.929 178.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' 1960 ' ' LYS . 2.5 mmp_? -56.84 -50.88 71.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.418 -0.81 . . . . 3.16 110.785 -178.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.867 ' HB ' HG21 ' A' 1868 ' ' VAL . 39.8 t -61.32 -47.47 93.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.851 -0.613 . . . . 0.3 110.705 -178.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 34.4 t -56.18 -41.8 76.08 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.306 -0.406 . . . . 1.13 110.726 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' 1955 ' ' ARG . 44.5 mt-10 -62.56 -41.91 99.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.216 0.532 . . . . 1.86 110.877 178.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.584 ' O ' HG23 ' A' 1964 ' ' VAL . 29.9 mmtp -73.86 -32.42 63.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.071 -0.513 . . . . 0.65 111.746 -173.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.863 HG11 ' HB2' ' A' 1865 ' ' ALA . 59.0 t -56.35 -46.88 81.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 120.9 0.381 . . . . 0.27 110.523 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . 0.409 ' HA ' HD12 ' A' 1965 ' ' LEU . 15.6 m -62.64 -31.6 72.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.064 -0.516 . . . . 1.3 110.727 179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 38.9 m170 -72.02 -37.13 69.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 1.11 110.168 178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.615 HG22 ' HB3' ' A' 1919 ' ' ARG . 48.6 t -66.52 -46.62 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 0.35 110.0 176.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.409 HD12 ' HA ' ' A' 1962 ' ' SER . 69.1 mt -55.99 -46.51 78.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.869 -0.605 . . . . 0.35 110.665 177.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.84 73.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.902 -0.59 . . . . 0.4 111.329 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.3 -28.61 69.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.46 110.864 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.697 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 2.7 mm? -71.93 -50.93 24.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.5 111.444 179.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 15.9 mp0 -68.61 -26.4 65.34 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.589 -0.444 . . . . 1.7 110.57 -178.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -65.55 -25.98 67.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.41 . . . . 0.93 110.988 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . 0.41 ' HA3' HG21 ' A' 1912 ' ' ILE . . . -90.84 3.35 80.99 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.731 -0.747 . . . . 2.0 112.471 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -144.71 81.17 1.65 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.17 0.51 . . . . 5.01 110.497 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 . . . . . 0 C--O 1.244 0.797 0 CA-C-O 118.106 -0.949 . . . . 7.5 109.942 177.627 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.47 -0.652 . . . . 21.55 111.47 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 26.1 pt -85.05 -20.66 8.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.299 0.571 . . . . 20.33 110.119 178.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . 0.457 ' HA ' ' HD3' ' A' 1812 ' ' PRO . 16.4 t70 -109.82 136.97 20.32 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.596 -0.729 . . . . 19.2 109.575 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' 1811 ' ' ASP . 10.2 Cg_exo -72.34 13.42 0.54 Allowed 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 123.343 2.695 . . . . 18.2 113.409 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 99.0 m-85 66.33 87.26 0.12 Allowed 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 122.933 0.493 . . . . 20.33 111.136 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 59.1 p 59.48 125.74 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.669 1.187 . . . . 16.69 112.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -76.44 70.53 3.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.527 0.68 . . . . 16.15 110.258 177.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.596 ' HB3' ' HB2' ' A' 1884 ' ' PRO . 10.4 tp10 65.98 93.43 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.754 -1.112 . . . . 14.41 111.028 -177.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -120.91 11.2 11.02 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.229 -0.896 . . . . 12.08 110.192 178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -98.53 -49.05 4.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.977 -0.556 . . . . 10.45 110.257 179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 19.8 m -87.84 104.25 16.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.081 -0.509 . . . . 8.54 110.473 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -104.25 123.14 46.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.346 -0.388 . . . . 6.8 110.511 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -165.91 -50.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.172 -0.467 . . . . 4.72 110.457 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . 0.567 ' HA2' ' HA3' ' A' 1883 ' ' GLY . . . 83.1 -62.0 4.7 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.739 -0.743 . . . . 3.52 111.406 -178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 12.7 p -100.86 149.28 6.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.239 -0.652 . . . . 2.13 109.239 175.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.775 ' HB ' ' HB ' ' A' 1828 ' ' VAL . 12.6 m -76.74 99.84 2.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 122.076 0.941 . . . . 1.83 112.098 -176.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -146.34 107.95 0.43 Allowed Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 114.441 -1.254 . . . . 2.1 110.786 174.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 112.05 -60.85 0.32 Allowed Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.815 -0.707 . . . . 0.91 112.207 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.767 ' HE1' ' HA ' ' A' 1824 ' ' VAL . 0.0 OUTLIER -80.33 -26.08 38.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.961 0.38 . . . . 1.1 111.113 -176.477 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . 0.775 ' HB ' ' HB ' ' A' 1824 ' ' VAL . 12.5 p -62.74 -26.1 39.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 120.95 0.405 . . . . 0.74 110.555 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 24.7 t70 -55.98 -34.54 65.84 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.869 -0.605 . . . . 0.87 111.063 175.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 41.1 m -65.71 -23.88 66.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.917 -0.583 . . . . 0.97 111.688 -177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.475 HG13 HG23 ' A' 1890 ' ' THR . 67.4 mt -72.55 -51.32 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.059 0.457 . . . . 0.32 109.952 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 7.0 m -66.01 -37.69 86.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.843 -0.617 . . . . 0.61 110.692 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -61.34 -39.21 89.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.331 -0.395 . . . . 2.49 110.581 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.531 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -60.69 -35.31 75.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 0.34 111.001 179.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . 0.69 ' HA ' HE22 ' A' 1921 ' ' GLN . 50.6 mt -63.61 -46.13 95.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.277 -0.42 . . . . 0.49 110.018 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -65.66 -46.84 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.654 -0.703 . . . . 0.72 111.755 -177.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . 0.531 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 13.6 pt20 -63.33 -38.53 91.5 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.782 0.325 . . . . 1.0 111.361 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.518 HD23 ' HG2' ' A' 1901 ' ' LYS . 30.8 mt -67.74 -44.57 77.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.522 -0.308 . . . . 0.79 110.666 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.29 -41.36 96.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 1.79 110.259 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -53.45 -49.07 68.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.584 -0.734 . . . . 3.25 110.851 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 147.78 167.75 13.61 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.568 -0.825 . . . . 1.73 112.393 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' 1901 ' ' LYS . 2.4 Cg_endo -81.73 173.9 10.84 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.123 2.549 . . . . 2.43 111.703 177.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 26.2 mmt -97.08 -17.29 20.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.829 0.347 . . . . 5.03 110.257 178.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . 0.689 ' HA2' HG21 ' A' 1905 ' ' VAL . . . 70.42 -165.72 51.6 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.943 -0.646 . . . . 1.86 111.983 -177.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 48.6 m-20 52.57 67.44 3.92 Favored Pre-proline 0 C--O 1.236 0.356 0 C-N-CA 122.96 0.504 . . . . 3.08 111.672 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -74.33 148.55 38.73 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.168 1.912 . . . . 1.21 111.734 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -87.49 -37.87 16.56 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.249 0.547 . . . . 2.82 110.202 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -118.32 -171.52 15.28 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.672 -0.775 . . . . 1.14 111.822 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . 0.401 ' HB2' HG12 ' A' 1851 ' ' VAL . 15.1 m -88.55 172.77 9.07 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.073 -0.343 . . . . 1.64 110.073 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.534 ' HE1' HD11 ' A' 1916 ' ' ILE . 66.9 t80 -56.85 -39.66 74.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.428 -0.351 . . . . 0.68 110.907 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . 0.401 HG12 ' HB2' ' A' 1849 ' ' SER . 7.4 p -56.15 -37.04 47.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 116.257 -0.428 . . . . 0.79 111.909 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.88 -48.49 30.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 1.71 110.365 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -63.14 -34.36 77.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 1.07 110.559 177.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.688 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 30.9 tt0 -56.68 -57.1 13.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.093 -0.503 . . . . 0.99 110.251 174.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.417 ' HA ' HG22 ' A' 1858 ' ' VAL . 12.0 m -61.8 -35.31 77.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.659 -0.701 . . . . 1.46 110.751 -178.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 27.8 m -65.78 -44.5 85.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.081 0.467 . . . . 0.42 110.596 177.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . 0.493 ' SD ' ' HB2' ' A' 1899 ' ' GLN . 67.7 mmm -68.01 -45.38 74.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.71 111.773 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.672 ' O ' ' HG3' ' A' 1862 ' ' LYS . 25.8 m -63.66 -34.39 67.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.699 -0.4 . . . . 0.29 111.538 -175.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -65.4 -38.65 90.59 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.939 0.399 . . . . 3.02 110.79 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.621 ' HB ' HD21 ' A' 1896 ' ' LEU . 20.4 m -75.72 -36.03 60.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.545 . . . . 0.35 110.448 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.494 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.83 -45.68 91.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.085 -0.507 . . . . 0.25 111.199 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' 1858 ' ' VAL . 86.5 mttt -59.45 -35.8 74.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.018 0.437 . . . . 1.31 110.318 177.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.8 -40.97 83.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.545 -0.752 . . . . 0.41 111.458 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.703 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -74.92 -25.88 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 120.201 -0.599 . . . . 0.28 109.879 178.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.82 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -71.17 -39.04 72.13 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.099 -0.501 . . . . 0.2 111.311 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.497 ' O ' ' HG3' ' A' 1869 ' ' GLN . 14.9 p -73.28 -23.62 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.233 0.54 . . . . 0.73 109.873 175.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.584 ' O ' ' HG3' ' A' 1871 ' ' MET . 75.1 m -69.65 -52.58 24.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 0.25 110.362 174.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.832 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.1 p -61.28 -38.75 80.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 121.182 -0.207 . . . . 0.28 110.971 179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -66.27 -29.04 69.19 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.568 -0.453 . . . . 0.91 109.922 178.715 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -75.59 -33.15 60.55 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 109.573 -0.529 . . . . 0.57 109.573 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.584 ' HG3' ' O ' ' A' 1867 ' ' THR . 80.3 mtp -66.11 -45.11 82.29 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.402 -0.363 . . . . 1.25 110.798 -178.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.445 ' HB ' ' CB ' ' A' 1954 ' ' ALA . 3.1 p -63.23 -42.14 95.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.554 0.693 . . . . 0.59 110.489 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 90.6 m -65.24 -46.81 79.08 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.982 -1.008 . . . . 0.44 111.303 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.671 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 8.1 mmpt? -74.74 -28.98 61.0 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-N 116.321 -0.4 . . . . 1.4 111.77 -177.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.499 ' HA ' HD11 ' A' 1882 ' ' LEU . 26.7 t -59.76 -28.12 67.12 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.852 -0.53 . . . . 1.11 110.658 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -81.93 -33.31 30.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.831 -0.622 . . . . 0.76 111.755 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 10.9 p -108.36 -36.49 6.24 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.057 0.762 . . . . 1.32 113.057 -170.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . 0.423 ' HB3' ' HG3' ' A' 1881 ' ' GLU . 73.2 m -148.48 88.7 5.27 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 116.264 -0.425 . . . . 1.17 110.743 -170.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' 1941 ' ' PRO . 10.4 Cg_exo -69.73 -22.57 32.04 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.709 2.273 . . . . 0.67 112.624 -176.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.99 -21.04 51.47 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.474 -0.49 . . . . 2.24 110.21 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' 1885 ' ' LEU . 33.7 mt-10 -79.22 -10.02 59.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 1.89 110.507 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.499 HD11 ' HA ' ' A' 1875 ' ' SER . 94.8 mt -68.52 -25.81 65.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.09 -0.505 . . . . 0.34 111.055 178.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . 0.567 ' HA3' ' HA2' ' A' 1822 ' ' GLY . . . -62.4 -56.03 24.13 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.925 -0.655 . . . . 0.38 113.67 -176.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.596 ' HB2' ' HB3' ' A' 1816 ' ' GLU . 17.8 Cg_endo -62.18 -30.81 82.47 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.239 1.959 . . . . 0.58 112.243 177.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' 1881 ' ' GLU . 59.9 mt -71.14 -38.56 72.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.551 -0.295 . . . . 0.37 110.447 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . 0.59 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -58.89 -35.07 72.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.444 0.64 . . . . 0.36 109.696 175.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 11.1 m120 -74.55 -45.83 42.97 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.159 -0.928 . . . . 1.43 111.6 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -67.84 -40.31 83.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.863 0.32 . . . . 1.07 111.863 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 51.3 tp -62.93 -32.99 74.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.146 0.498 . . . . 0.25 109.914 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . 0.475 HG23 HG13 ' A' 1831 ' ' ILE . 53.4 m -70.02 -47.49 61.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.469 -0.787 . . . . 0.28 111.59 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 49.4 p -70.28 -47.07 62.85 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.197 0.522 . . . . 1.17 111.571 -172.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -68.57 -25.76 65.06 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.637 -0.711 . . . . 0.8 111.853 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 40.6 t80 -62.93 -43.71 98.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.31 110.374 175.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -59.31 -25.26 60.07 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 121.22 -0.514 . . . . 0.31 112.52 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' 1899 ' ' GLN . 58.8 mtp180 -68.94 -48.77 62.41 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.645 -0.502 . . . . 3.04 109.645 179.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.621 HD21 ' HB ' ' A' 1860 ' ' THR . 49.4 mt -59.59 -42.83 93.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.905 -0.589 . . . . 0.86 110.465 176.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . 0.471 ' HA ' HG11 ' A' 1920 ' ' VAL . . . -62.01 -34.63 76.56 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.068 -0.514 . . . . 0.49 111.436 -179.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 8.6 t -75.43 -46.09 34.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.377 -0.374 . . . . 1.38 110.445 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.493 ' HB2' ' SD ' ' A' 1857 ' ' MET . 13.9 mt-30 -71.54 -25.73 62.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.074 -0.512 . . . . 1.56 111.561 -175.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -64.24 -27.57 69.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.34 111.994 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.781 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 30.6 mtmm -66.41 -57.16 13.17 Favored Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 116.64 -0.255 . . . . 2.27 111.275 -176.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.781 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 17.3 Cg_exo -67.78 -29.99 34.58 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.977 1.784 . . . . 0.6 111.893 176.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -62.55 -39.36 93.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.289 -0.414 . . . . 0.39 110.686 178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . 0.415 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -64.39 -35.91 82.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.942 -0.572 . . . . 0.46 111.194 178.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.689 HG21 ' HA2' ' A' 1844 ' ' GLY . 41.8 t -75.16 -41.01 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.806 -0.634 . . . . 1.26 110.711 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -79.41 -8.0 58.79 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.048 -0.523 . . . . 0.64 111.277 -178.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -63.21 138.91 58.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.85 111.216 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.09 -47.09 75.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.821 -0.627 . . . . 2.67 110.878 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.698 ' HB2' HG12 ' A' 1912 ' ' ILE . 5.2 m-20 -98.23 146.33 25.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.129 -0.487 . . . . 2.18 111.156 -177.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.13 -47.19 83.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.772 -0.649 . . . . 2.24 110.287 178.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -59.66 -41.78 91.35 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.333 -0.394 . . . . 2.49 110.676 178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.698 HG12 ' HB2' ' A' 1909 ' ' ASN . 29.7 mm -58.22 -51.09 75.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.054 -0.521 . . . . 0.89 110.874 -178.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.415 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.0 -42.1 99.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.558 -0.83 . . . . 0.51 112.103 178.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.92 92.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.135 0.493 . . . . 0.46 110.581 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.636 ' O ' ' HG2' ' A' 1919 ' ' ARG . 30.0 m-70 -66.98 -39.6 87.23 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.707 -0.678 . . . . 1.62 111.326 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' 1912 ' ' ILE . 92.2 mt -53.47 -51.98 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-O 120.996 0.427 . . . . 0.4 110.162 176.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.551 ' O ' ' HG2' ' A' 1921 ' ' GLN . 17.5 mtpp -55.96 -49.35 73.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.383 -0.826 . . . . 1.36 110.681 177.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -65.31 -34.09 77.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.958 -1.019 . . . . 1.91 112.526 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.725 ' HA ' ' HG3' ' A' 1922 ' ' GLU . 38.5 mmt180 -69.03 -36.17 77.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.004 0.431 . . . . 2.55 110.693 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.471 HG11 ' HA ' ' A' 1897 ' ' ALA . 40.3 t -70.9 -27.8 31.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.768 -0.456 . . . . 0.35 109.768 176.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.69 HE22 ' HA ' ' A' 1835 ' ' ILE . 22.4 mm-40 -64.7 -36.1 83.19 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.213 -0.449 . . . . 1.22 109.87 174.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.725 ' HG3' ' HA ' ' A' 1919 ' ' ARG . 4.2 mt-10 -62.81 -49.29 75.54 Favored 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 109.273 -0.64 . . . . 1.49 109.273 176.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.402 HD11 HG21 ' A' 1964 ' ' VAL . 41.6 mt -59.8 -29.29 68.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.338 -0.847 . . . . 0.67 110.711 176.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . 0.436 ' O ' HD11 ' A' 1835 ' ' ILE . . . -64.35 -23.0 67.98 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.731 -0.668 . . . . 0.64 112.664 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -108.36 -19.07 13.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.961 0.41 . . . . 0.69 110.325 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . 0.574 ' HA2' ' HD3' ' A' 1956 ' ' ARG . . . -76.9 -58.98 3.3 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 121.005 -0.617 . . . . 0.25 112.001 175.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 61.9 m -61.3 -40.5 94.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 1.22 110.846 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 3.3 p -57.23 -52.24 66.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.855 -0.611 . . . . 1.03 111.09 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.42 91.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.819 -0.628 . . . . 0.28 111.072 -178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.55 HD11 HG23 ' A' 1868 ' ' VAL . 0.3 OUTLIER -63.35 -53.5 51.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.28 110.594 -178.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' 1886 ' ' ALA . 31.7 m -66.67 -30.61 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.402 -0.363 . . . . 0.26 110.969 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 92.1 m -67.93 -45.25 74.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.099 0.476 . . . . 0.8 110.19 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.497 ' HE2' ' CB ' ' A' 1949 ' ' GLU . 29.6 tptt -66.48 -37.28 84.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.89 -0.596 . . . . 1.27 110.568 -177.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.14 81.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.221 -0.445 . . . . 0.3 111.095 176.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -62.85 -38.23 96.2 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.592 -0.814 . . . . 0.4 111.732 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.16 -34.85 61.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.793 0.33 . . . . 0.5 111.024 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' 1937 ' ' LEU . 3.0 tm? -67.96 -33.96 75.66 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 109.742 -0.466 . . . . 0.41 109.742 -178.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -68.6 -25.68 64.99 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.998 0.428 . . . . 1.06 110.978 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 67.8 m -77.57 -13.04 60.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.983 -0.553 . . . . 1.43 110.642 176.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 49.4 m -151.46 64.66 6.13 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 109.311 -0.626 . . . . 0.8 109.311 177.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.4 ' HB2' ' HG2' ' A' 1879 ' ' PRO . 56.0 Cg_endo -71.13 10.67 0.65 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.949 2.433 . . . . 0.69 113.717 -171.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 23.1 t -123.31 4.51 9.13 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.287 0.565 . . . . 1.54 109.846 177.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 37.1 t70 -86.52 131.97 34.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.0 -0.545 . . . . 1.16 110.398 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 42.3 t -79.99 -41.26 21.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.057 -0.52 . . . . 1.33 110.543 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 48.3 t80 -59.27 -54.39 47.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.154 -0.476 . . . . 1.91 111.323 -175.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.418 HG23 ' HE3' ' A' 1933 ' ' LYS . 15.6 m -61.22 -41.01 96.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 0.6 111.064 -178.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.493 ' O ' HG13 ' A' 1951 ' ' ILE . 6.6 ttpm? -66.72 -42.32 86.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.033 -0.531 . . . . 1.2 110.499 179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' 1948 ' ' LYS . 39.2 ttmt -59.42 -41.91 90.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 2.67 110.073 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.497 ' CB ' ' HE2' ' A' 1933 ' ' LYS . 47.0 mt-10 -63.71 -40.42 96.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.037 -0.528 . . . . 1.53 110.59 176.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 9.5 tt -64.23 -40.06 95.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.442 -0.344 . . . . 0.31 110.394 178.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' 1947 ' ' LYS . 78.6 mt -59.57 -41.75 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.942 -0.392 . . . . 0.35 109.942 176.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.41 -43.58 98.62 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.143 -0.481 . . . . 2.11 110.313 174.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.615 ' O ' HG23 ' A' 1957 ' ' VAL . 82.3 m -60.79 -42.75 98.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.956 -0.565 . . . . 0.88 110.88 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . 0.445 ' CB ' ' HB ' ' A' 1872 ' ' VAL . . . -62.53 -46.79 86.77 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.997 0.427 . . . . 0.25 110.778 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.53 ' O ' ' HG3' ' A' 1959 ' ' GLU . 98.9 mtt180 -60.68 -33.13 72.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.02 -0.536 . . . . 3.21 110.452 178.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.588 ' O ' ' HG2' ' A' 1960 ' ' LYS . 0.0 OUTLIER -66.89 -33.25 75.18 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.886 -0.597 . . . . 3.16 110.504 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.832 ' HB ' HG21 ' A' 1868 ' ' VAL . 37.9 t -77.48 -45.86 28.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.3 110.561 -178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 69.5 m -54.77 -37.91 66.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.97 -0.559 . . . . 1.13 111.403 179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' 1955 ' ' ARG . 60.3 mt-10 -68.81 -33.05 73.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.42 . . . . 1.86 110.702 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.2 mmtt -74.3 -39.04 63.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.145 -0.479 . . . . 0.65 110.634 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.82 HG11 ' HB2' ' A' 1865 ' ' ALA . 40.1 t -56.75 -44.97 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.85 0.357 . . . . 0.27 110.637 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 17.0 m -60.64 -34.89 74.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.023 -0.535 . . . . 1.3 110.665 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.602 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 37.4 m80 -74.52 -35.55 63.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.3 -0.409 . . . . 1.11 111.34 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.632 HG22 ' HB3' ' A' 1919 ' ' ARG . 78.2 t -61.8 -51.13 76.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.642 -0.503 . . . . 0.35 109.642 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.457 HD21 ' HB3' ' A' 1861 ' ' ALA . 69.3 mt -58.9 -40.25 83.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.586 -0.734 . . . . 0.35 110.635 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.98 -34.11 75.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.861 -0.608 . . . . 0.4 111.491 179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.28 -38.19 90.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.46 110.614 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.688 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.3 mm? -70.45 -55.15 9.68 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.846 -0.615 . . . . 0.5 110.939 178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -66.22 -18.27 65.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.97 -0.559 . . . . 1.7 112.14 -174.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -77.63 -20.42 53.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.683 -0.235 . . . . 0.93 110.824 178.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . 0.523 ' HA2' HG13 ' A' 1912 ' ' ILE . . . -73.71 -67.47 1.77 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.827 -0.701 . . . . 2.0 112.1 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -76.19 171.76 13.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.765 0.316 . . . . 5.01 110.309 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.243 0.761 0 CA-C-O 118.738 -0.649 . . . . 7.5 109.825 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 112.064 -0.415 . . . . 21.55 112.064 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 10.6 tp -154.03 135.83 5.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.903 0.383 . . . . 20.33 109.988 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . 0.418 ' OD2' ' HB2' ' A' 1813 ' ' PHE . 7.1 p-10 -133.0 146.32 60.79 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 109.831 -0.433 . . . . 19.2 109.831 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.62 13.95 0.69 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.15 2.566 . . . . 18.2 114.068 -171.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . 0.418 ' HB2' ' OD2' ' A' 1811 ' ' ASP . 65.5 m-85 -96.15 30.81 2.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.941 0.4 . . . . 20.33 111.216 -177.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . 0.491 HG22 ' HB3' ' A' 1817 ' ' ALA . 2.0 m -69.25 92.16 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.369 -0.604 . . . . 16.69 109.369 174.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -78.93 115.04 18.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.975 -0.557 . . . . 16.15 111.564 -171.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 48.98 60.61 3.62 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.445 -0.798 . . . . 14.41 111.625 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . 0.491 ' HB3' HG22 ' A' 1814 ' ' THR . . . -166.67 128.31 1.73 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.151 -0.931 . . . . 12.08 109.587 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -87.58 161.91 17.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.374 -0.375 . . . . 10.45 110.124 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 30.2 m -55.29 126.1 23.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.415 -0.357 . . . . 8.54 110.227 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -75.54 91.74 2.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.994 -0.548 . . . . 6.8 110.901 -176.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -145.96 -76.42 0.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.661 . . . . 4.72 110.379 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . 63.2 27.78 71.14 Favored Glycine 0 C--N 1.33 0.213 0 C-N-CA 120.839 -0.696 . . . . 3.52 111.971 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 19.1 m -134.69 178.4 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.762 0.315 . . . . 2.13 110.454 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.827 HG13 ' HB2' ' A' 1827 ' ' MET . 71.5 t -100.85 103.45 14.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.331 0.586 . . . . 1.83 111.101 -176.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -119.42 -46.76 0.39 Allowed Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.532 -0.758 . . . . 2.1 111.702 175.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -78.42 -39.22 22.9 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.849 -0.691 . . . . 0.91 112.213 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.827 ' HB2' HG13 ' A' 1824 ' ' VAL . 1.6 mpt? -58.54 -52.08 67.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.106 0.479 . . . . 1.1 110.559 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . 0.415 ' HB ' HG12 ' A' 1824 ' ' VAL . 9.2 p -61.14 -32.3 52.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.594 -0.73 . . . . 0.74 111.325 -173.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 32.6 t70 -69.28 -45.98 68.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.935 0.398 . . . . 0.87 110.173 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 34.6 m -61.05 -39.51 90.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.97 110.832 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' 1827 ' ' MET . 72.8 mt -60.95 -49.65 83.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.133 0 CA-C-O 121.054 0.454 . . . . 0.32 110.449 176.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 25.4 m -63.84 -39.01 93.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.817 -0.629 . . . . 0.61 111.162 -177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 51.8 tp60 -65.82 -36.35 83.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.709 0.29 . . . . 2.49 110.551 178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.604 ' O ' ' HG ' ' A' 1838 ' ' LEU . . . -62.04 -40.32 95.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 0.34 110.278 176.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.74 -54.12 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.926 -0.579 . . . . 0.49 110.568 175.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . 0.406 ' HB3' ' OE1' ' A' 1840 ' ' GLU . 36.6 m-80 -59.16 -54.26 48.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.54 -0.754 . . . . 0.72 111.907 -176.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -59.19 -30.61 68.33 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.146 0.424 . . . . 1.0 112.146 -172.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' 1834 ' ' ALA . 92.7 mt -61.42 -49.74 75.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.088 0.471 . . . . 0.79 110.905 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.13 -30.69 18.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.903 -0.59 . . . . 1.79 111.791 -173.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . 0.406 ' OE1' ' HB3' ' A' 1836 ' ' ASN . 53.0 mt-10 -75.19 -20.27 59.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.665 0.269 . . . . 3.25 111.311 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 166.19 100.66 0.15 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.401 -0.904 . . . . 1.73 112.715 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.78 -7.37 21.0 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.647 2.232 . . . . 2.43 111.683 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 23.8 mmt 72.87 -55.08 0.69 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.148 0.979 . . . . 5.03 111.455 178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . 0.889 ' HA2' HG11 ' A' 1905 ' ' VAL . . . 95.36 69.69 1.05 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.714 -0.755 . . . . 1.86 111.353 -178.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -129.26 64.53 71.44 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.885 0.374 . . . . 3.08 111.967 -176.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.476 ' HG3' HG13 ' A' 1905 ' ' VAL . 7.0 Cg_endo -83.89 122.16 2.96 Favored 'Trans proline' 0 N--CA 1.454 -0.825 0 C-N-CA 122.372 2.048 . . . . 1.21 112.301 178.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -99.05 11.79 37.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.865 -0.607 . . . . 2.82 109.47 176.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -162.78 178.98 38.33 Favored Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 110.556 -1.018 . . . . 1.14 110.556 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 29.5 t -80.25 169.93 17.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 117.133 0.467 . . . . 1.64 110.226 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.54 ' HE1' HD11 ' A' 1916 ' ' ILE . 83.9 t80 -57.91 -35.58 71.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.011 0.434 . . . . 0.68 110.737 178.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 6.1 p -64.89 -36.63 78.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.927 -0.579 . . . . 0.79 110.939 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -64.77 -50.69 65.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.083 0.468 . . . . 1.71 110.635 -178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . 0.436 ' HD1' ' HB3' ' A' 1899 ' ' GLN . 57.7 m-85 -65.48 -33.88 76.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.863 -0.608 . . . . 1.07 111.041 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.61 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 7.1 tt0 -61.13 -53.17 60.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.423 -0.353 . . . . 0.99 110.507 176.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 6.9 p -60.1 -28.68 68.04 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.426 -0.352 . . . . 1.46 111.807 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 51.1 m -78.16 -51.35 10.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.748 0.308 . . . . 0.42 111.032 177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.3 mtp -62.04 -39.82 93.64 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 112.284 0.476 . . . . 0.71 112.284 -174.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.682 ' O ' ' HG3' ' A' 1862 ' ' LYS . 33.6 m -62.26 -32.82 56.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.598 -0.441 . . . . 0.29 111.011 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -72.15 -49.45 35.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.926 0.394 . . . . 3.02 110.488 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.528 ' HB ' HD21 ' A' 1896 ' ' LEU . 19.3 m -65.05 -33.33 75.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 0.35 110.881 -178.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.52 ' O ' HG13 ' A' 1864 ' ' ILE . . . -62.56 -45.04 94.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.478 -0.328 . . . . 0.25 110.507 176.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.682 ' HG3' ' O ' ' A' 1858 ' ' VAL . 62.1 mttm -58.81 -36.71 74.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.446 -0.343 . . . . 1.31 110.439 175.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -64.94 -49.51 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.057 -0.52 . . . . 0.41 111.264 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.695 HD11 HG22 ' A' 1961 ' ' VAL . 1.5 pp -67.43 -25.4 33.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-O 120.952 0.406 . . . . 0.28 110.202 -179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.71 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -67.75 -28.87 67.99 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.016 -0.538 . . . . 0.2 110.751 176.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' 1862 ' ' LYS . 58.4 t -73.27 -35.03 45.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.106 0.479 . . . . 0.73 109.718 175.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 20.6 m -66.89 -45.62 77.47 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.25 110.972 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.803 HG21 ' HB ' ' A' 1957 ' ' VAL . 2.8 p -65.74 -35.69 75.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.713 0.292 . . . . 0.28 110.812 178.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -71.75 -26.96 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.024 0.44 . . . . 0.91 109.817 178.321 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' 1869 ' ' GLN . 4.0 tp10 -73.09 -34.83 66.44 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.566 -0.531 . . . . 0.57 109.566 176.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.53 ' SD ' HD22 ' A' 1882 ' ' LEU . 3.7 mmt -55.77 -53.49 56.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.843 -0.617 . . . . 1.25 111.592 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . . . . . . . . . 9.3 p -60.5 -39.42 81.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.255 0.55 . . . . 0.59 111.001 -178.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 47.7 m -72.09 -43.03 65.46 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.615 -0.72 . . . . 0.44 111.358 -179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.799 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 10.0 mmpt? -73.83 -33.75 64.28 Favored 'General case' 0 C--O 1.217 -0.63 0 N-CA-C 111.596 0.221 . . . . 1.4 111.596 -178.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 23.6 t -60.57 -30.28 69.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.2 0.524 . . . . 1.11 110.076 178.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 21.6 m-80 -81.55 -23.83 36.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.655 -0.702 . . . . 0.76 111.833 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . 0.438 ' OG1' ' HA ' ' A' 1874 ' ' LYS . 7.8 p -109.4 -44.93 3.8 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.171 0.804 . . . . 1.32 113.171 -172.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . 0.433 ' HA ' ' HD2' ' A' 1879 ' ' PRO . 6.7 t -152.57 101.77 2.73 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.761 -0.459 . . . . 1.17 109.761 -174.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' 1878 ' ' SER . 29.1 Cg_endo -63.13 -29.4 74.39 Favored 'Trans proline' 0 N--CA 1.467 -0.079 0 C-N-CA 122.929 2.419 . . . . 0.67 113.046 -175.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.04 -23.57 62.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.663 0.268 . . . . 2.24 111.275 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.751 ' O ' ' HG ' ' A' 1885 ' ' LEU . 35.6 mm-40 -71.96 -12.62 61.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.737 0.303 . . . . 1.89 110.72 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.53 HD22 ' SD ' ' A' 1871 ' ' MET . 84.8 mt -72.3 -19.7 61.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.4 -0.363 . . . . 0.34 110.729 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . 0.403 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -66.77 -55.59 16.55 Favored Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.831 -0.699 . . . . 0.38 112.836 179.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' 1883 ' ' GLY . 10.2 Cg_endo -58.13 -37.59 94.98 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.276 1.984 . . . . 0.58 112.303 174.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' 1881 ' ' GLU . 25.1 mt -67.17 -40.95 86.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.781 0.324 . . . . 0.37 110.496 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . 0.596 ' HA ' HG12 ' A' 1931 ' ' VAL . . . -59.66 -30.2 68.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.365 0.602 . . . . 0.36 110.196 177.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -73.54 -52.37 13.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.293 -0.867 . . . . 1.43 110.751 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -63.14 -45.12 93.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.05 -0.523 . . . . 1.07 112.109 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . . . . . . . . . 43.5 tp -61.15 -27.57 68.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.226 0.536 . . . . 0.25 110.383 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . 0.545 ' OG1' ' HB3' ' A' 1827 ' ' MET . 49.2 m -81.07 -46.55 14.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.414 -0.812 . . . . 0.28 111.417 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 78.1 p -66.29 -51.09 60.88 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.929 0.395 . . . . 1.17 111.058 -172.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.502 ' HA ' ' HB3' ' A' 1895 ' ' ARG . 2.5 m-20 -66.34 -25.47 66.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.914 -0.585 . . . . 0.8 111.778 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . . . . . . . . . 42.1 t80 -68.46 -43.51 76.85 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.659 -0.416 . . . . 0.31 110.254 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -70.3 -29.43 70.22 Favored Glycine 0 CA--C 1.504 -0.639 0 N-CA-C 109.771 -1.332 . . . . 0.31 109.771 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.502 ' HB3' ' HA ' ' A' 1892 ' ' ASP . 39.4 ttt180 -62.36 -49.11 76.84 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 113.967 -1.116 . . . . 3.04 110.126 171.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.528 HD21 ' HB ' ' A' 1860 ' ' THR . 10.5 mt -57.96 -47.21 83.6 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.44 -0.345 . . . . 0.86 111.03 176.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -58.06 -25.71 61.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.753 -0.658 . . . . 0.49 111.795 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 10.1 t -66.59 -45.31 79.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.628 -0.26 . . . . 1.38 110.433 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.499 ' O ' ' HD2' ' A' 1902 ' ' PRO . 0.7 OUTLIER -77.6 -24.59 49.61 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 111.452 0.168 . . . . 1.56 111.452 178.528 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -61.85 -35.96 79.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.693 0.283 . . . . 0.34 111.532 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.889 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 7.9 mtpm? -60.52 -58.84 16.39 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.339 -0.391 . . . . 2.27 111.486 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.889 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 22.6 Cg_exo -65.87 -32.13 46.25 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.202 1.934 . . . . 0.6 112.641 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.44 93.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.874 0.368 . . . . 0.39 110.952 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -67.52 -43.84 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.044 -0.525 . . . . 0.46 111.492 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.889 HG11 ' HA2' ' A' 1844 ' ' GLY . 11.1 p -76.42 -31.54 20.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 116.303 -0.408 . . . . 1.26 111.561 -178.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -80.26 -8.56 59.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.009 0.433 . . . . 0.64 110.57 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -70.1 143.37 52.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.7 -0.682 . . . . 0.85 110.422 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.11 -52.22 13.24 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.075 -0.512 . . . . 2.67 110.779 -177.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.575 ' HB2' HG12 ' A' 1912 ' ' ILE . 2.8 m-20 -86.31 138.28 31.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.154 -0.475 . . . . 2.18 110.356 178.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -63.59 -40.8 97.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.087 -0.506 . . . . 2.24 110.24 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' 1911 ' ' GLU . 1.9 mp0 -63.17 -33.64 75.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.908 -0.587 . . . . 2.49 110.864 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.575 HG12 ' HB2' ' A' 1909 ' ' ASN . 34.3 mm -68.13 -47.73 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.297 -0.41 . . . . 0.89 110.286 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -62.69 -41.36 99.84 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.619 -0.8 . . . . 0.51 111.525 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . 0.469 ' O ' ' HG2' ' A' 1917 ' ' LYS . . . -61.79 -37.63 85.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.121 0.486 . . . . 0.46 110.77 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.485 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.8 t-160 -66.04 -40.36 90.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.726 -0.67 . . . . 1.62 110.534 -177.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.54 HD11 ' HE1' ' A' 1850 ' ' PHE . 94.0 mt -63.54 -54.9 26.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.056 -0.52 . . . . 0.4 110.975 178.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.694 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.1 ptmt -61.66 -34.43 75.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 1.36 110.889 -175.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -71.86 -29.63 64.58 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 111.807 0.299 . . . . 1.91 111.807 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.808 ' HD2' ' HB3' ' A' 1963 ' ' HIS . 28.7 mmt180 -76.61 -31.82 57.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.882 0.373 . . . . 2.55 110.644 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1916 ' ' ILE . 21.3 t -71.54 -25.55 24.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.504 -0.554 . . . . 0.35 109.504 175.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.694 ' HG2' ' O ' ' A' 1917 ' ' LYS . 23.7 mm-40 -63.34 -38.59 91.74 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.212 -0.662 . . . . 1.22 109.212 172.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.902 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 4.6 mt-10 -60.16 -51.62 68.8 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.518 -0.765 . . . . 1.49 109.757 176.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.17 -38.38 70.82 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.559 -0.746 . . . . 0.67 110.299 175.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -56.33 -52.18 51.43 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.842 -0.694 . . . . 0.64 112.168 177.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -71.5 -38.45 71.15 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.684 0.278 . . . . 0.69 110.948 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -68.45 -56.4 10.1 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.082 -0.58 . . . . 0.25 112.642 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 73.5 m -60.33 -37.96 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.719 0.295 . . . . 1.22 110.438 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' 1924 ' ' GLY . 15.1 t -59.81 -52.21 66.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.196 -0.457 . . . . 1.03 110.261 176.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.25 93.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.28 110.818 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.582 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.21 -53.07 62.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.76 -0.654 . . . . 0.28 110.715 -178.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.596 HG12 ' HA ' ' A' 1886 ' ' ALA . 30.9 m -67.32 -33.47 62.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.953 -0.299 . . . . 0.26 111.083 -177.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 85.1 m -61.7 -46.67 88.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.028 0.442 . . . . 0.8 110.156 176.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.65 -36.59 84.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.826 -0.625 . . . . 1.27 111.001 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . 0.62 ' O ' ' HG3' ' A' 1938 ' ' GLN . . . -59.74 -47.15 86.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.56 0.219 . . . . 0.3 110.822 177.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.21 -43.8 96.9 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.628 -0.796 . . . . 0.4 111.976 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.39 74.12 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.737 0.303 . . . . 0.5 111.084 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.543 HD13 ' O ' ' A' 1937 ' ' LEU . 2.7 tm? -73.78 -27.75 61.3 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 109.697 -0.483 . . . . 0.41 109.697 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . 0.62 ' HG3' ' O ' ' A' 1934 ' ' ALA . 46.1 mt-30 -77.39 -26.5 51.83 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.212 0.53 . . . . 1.06 110.389 176.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 50.6 t -73.82 -35.98 64.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.439 -0.8 . . . . 1.43 109.475 174.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 19.7 m -133.55 72.23 74.55 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 115.875 -0.602 . . . . 0.8 110.011 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.1 -11.43 32.21 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.73 2.287 . . . . 0.69 112.378 -174.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 41.7 t -97.4 -5.38 36.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.31 -0.859 . . . . 1.54 110.963 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 35.9 t70 -85.44 114.51 22.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 1.16 110.652 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 52.0 t -67.74 -32.18 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.772 -0.649 . . . . 1.33 110.613 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.437 ' O ' ' HG2' ' A' 1949 ' ' GLU . 66.1 t80 -59.02 -57.1 14.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 1.91 110.987 -178.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.443 ' HB ' HD23 ' A' 1937 ' ' LEU . 19.4 m -61.66 -37.97 86.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.823 0.344 . . . . 0.6 111.065 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.417 ' O ' HG13 ' A' 1951 ' ' ILE . 39.5 ttpt -63.6 -44.85 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 1.2 110.053 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' 1948 ' ' LYS . 17.4 ttpp -59.5 -45.21 92.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.99 -0.55 . . . . 2.67 110.29 175.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' 1945 ' ' TYR . 46.3 mm-40 -54.81 -45.71 74.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.746 -0.661 . . . . 1.53 110.583 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.501 ' HG ' HD23 ' A' 1930 ' ' LEU . 9.5 tt -66.48 -40.68 89.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.297 -0.41 . . . . 0.31 110.86 -178.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' 1947 ' ' LYS . 81.4 mt -57.24 -42.06 79.27 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.175 0.512 . . . . 0.35 110.115 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.634 ' O ' ' HG3' ' A' 1956 ' ' ARG . 82.8 mt-10 -72.73 -35.92 67.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.736 . . . . 2.11 110.639 178.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.417 ' O ' HG23 ' A' 1957 ' ' VAL . 90.6 m -63.89 -36.7 84.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.88 110.579 176.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.6 -49.21 76.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.069 -0.514 . . . . 0.25 111.287 179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' 1952 ' ' GLU . 39.5 ptt180 -65.41 -27.17 68.35 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.706 -0.398 . . . . 3.21 110.546 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.634 ' HG3' ' O ' ' A' 1952 ' ' GLU . 57.7 mtt180 -60.42 -56.8 17.03 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.983 0.42 . . . . 3.16 109.912 174.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.803 ' HB ' HG21 ' A' 1868 ' ' VAL . 38.0 t -60.46 -39.2 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.3 110.862 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 18.4 m -57.02 -35.43 69.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.031 -0.531 . . . . 1.13 111.169 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' 1955 ' ' ARG . 58.6 mt-10 -76.17 -36.7 58.6 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.063 0.459 . . . . 1.86 110.6 177.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.902 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.3 mmtt -65.55 -36.81 84.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.756 -0.656 . . . . 0.65 110.574 -177.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.71 HG11 ' HB2' ' A' 1865 ' ' ALA . 60.5 t -56.57 -50.31 73.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.094 0.474 . . . . 0.27 110.445 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 9.0 t -61.34 -35.6 77.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.44 -0.8 . . . . 1.3 110.223 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.808 ' HB3' ' HD2' ' A' 1919 ' ' ARG . 19.1 m170 -62.79 -46.96 85.56 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.976 -0.556 . . . . 1.11 111.077 177.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' 1960 ' ' LYS . 61.0 t -61.82 -48.64 87.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.35 110.422 179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' 1861 ' ' ALA . 91.3 mt -54.79 -49.66 70.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.878 -0.601 . . . . 0.35 110.736 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -61.58 -34.36 75.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.975 -0.557 . . . . 0.4 111.393 -179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -64.35 -38.23 90.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.799 0.333 . . . . 0.46 110.878 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.61 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -68.34 -46.61 69.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.49 . . . . 0.5 110.72 177.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -68.3 -20.76 64.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 1.7 111.277 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -69.56 -29.87 67.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.185 0.517 . . . . 0.93 110.606 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -83.83 0.17 89.59 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.844 -0.693 . . . . 2.0 112.128 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -144.55 85.1 1.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.255 0.55 . . . . 5.01 110.319 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.374 -0.822 . . . . 7.5 110.517 179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.744 -0.542 . . . . 21.55 111.744 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 13.2 tt -139.87 131.52 33.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 120.982 0.42 . . . . 20.33 110.421 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 34.9 t70 -97.26 106.89 35.06 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.783 -0.644 . . . . 19.2 109.844 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -66.53 163.02 34.21 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.943 2.429 . . . . 18.2 112.504 -176.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -80.07 -172.17 3.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.123 -0.489 . . . . 20.33 110.212 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 6.4 t -56.75 115.51 2.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.452 0.644 . . . . 16.69 110.988 178.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 3.1 p30 -106.02 107.11 17.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.638 0.733 . . . . 16.15 109.912 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -72.0 -20.59 61.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.07 -0.968 . . . . 14.41 111.577 -174.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -142.92 115.01 8.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.003 0.43 . . . . 12.08 111.386 -178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -98.78 -31.37 11.91 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.566 -0.902 . . . . 10.45 108.566 171.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 25.9 t -117.9 158.32 25.08 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.84 -1.073 . . . . 8.54 108.19 172.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 62.57 20.58 12.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.301 0.572 . . . . 6.8 110.658 -175.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -97.89 162.54 13.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.583 -0.735 . . . . 4.72 110.324 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -82.36 37.96 2.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.006 -0.616 . . . . 3.52 112.713 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 19.0 m -107.71 -40.69 5.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.71 0.29 . . . . 2.13 110.663 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.459 ' HA ' ' HE2' ' A' 1827 ' ' MET . 57.1 t -148.24 -38.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.988 -0.551 . . . . 1.83 110.509 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -51.79 126.07 28.26 Favored Glycine 0 C--N 1.333 0.385 0 C-N-CA 121.139 -0.553 . . . . 2.1 112.066 177.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 114.29 -62.26 0.33 Allowed Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.847 -0.692 . . . . 0.91 111.431 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.459 ' HE2' ' HA ' ' A' 1824 ' ' VAL . 24.9 ptt? -74.36 -24.95 59.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.758 0.313 . . . . 1.1 110.441 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.2 p -64.02 -27.13 42.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.922 0.391 . . . . 0.74 110.703 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -63.63 -36.25 83.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 0.87 110.346 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 72.5 m -59.8 -29.47 68.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.84 -0.618 . . . . 0.97 110.804 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.451 HG23 ' CE2' ' A' 1893 ' ' TYR . 68.1 mt -70.68 -47.85 61.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.212 -0.449 . . . . 0.32 110.358 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 17.2 m -68.1 -40.66 82.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.119 -0.492 . . . . 0.61 111.051 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -65.89 -31.78 72.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.658 0.266 . . . . 2.49 110.648 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.501 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -63.53 -27.95 69.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.064 0.459 . . . . 0.34 110.728 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.67 -54.6 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.822 -0.627 . . . . 0.49 109.959 175.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -65.6 -36.61 84.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.41 -0.814 . . . . 0.72 112.091 -174.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' 1834 ' ' ALA . 26.1 pt20 -59.25 -33.96 71.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.633 0.254 . . . . 1.0 111.433 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . . . . . . . . . 95.9 mt -73.11 -30.77 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.48 -0.327 . . . . 0.79 111.235 -176.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -87.14 -35.43 18.64 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.299 -0.41 . . . . 1.79 110.547 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -73.25 -65.36 0.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.168 -0.469 . . . . 3.25 111.284 -178.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -129.26 101.29 0.53 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.517 -0.849 . . . . 1.73 112.67 -175.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -65.95 -54.34 0.55 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.781 2.321 . . . . 2.43 112.521 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 54.9 ttm 63.54 -80.82 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.076 0.55 . . . . 5.03 111.161 -176.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . 0.516 ' HA3' HG21 ' A' 1905 ' ' VAL . . . 77.55 -98.54 1.41 Allowed Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 121.1 -0.571 . . . . 1.86 112.555 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 34.1 t70 47.35 68.28 3.66 Favored Pre-proline 0 N--CA 1.466 0.326 0 CA-C-O 121.159 0.504 . . . . 3.08 110.623 -174.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.424 ' HG3' ' HB2' ' A' 1906 ' ' ALA . 61.3 Cg_endo -72.93 131.72 17.32 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.694 2.263 . . . . 1.21 113.013 -173.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -78.97 -29.86 44.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.941 -0.572 . . . . 2.82 110.285 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -109.39 -179.33 21.18 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.712 -0.756 . . . . 1.14 112.22 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . 0.485 ' HB2' HG12 ' A' 1851 ' ' VAL . 5.1 m -84.26 173.31 11.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.014 -0.365 . . . . 1.64 110.014 179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.5 ' HE1' HD11 ' A' 1916 ' ' ILE . 54.5 t80 -59.07 -40.71 86.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.739 0.304 . . . . 0.68 110.346 176.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . 0.485 HG12 ' HB2' ' A' 1849 ' ' SER . 7.3 p -59.28 -33.12 49.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.181 -0.463 . . . . 0.79 111.509 179.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.73 -50.53 35.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.038 0.447 . . . . 1.71 110.551 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.4 -34.35 77.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 1.07 110.347 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.702 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 32.8 tt0 -55.54 -57.23 12.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.99 110.243 173.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 27.4 m -57.57 -37.14 72.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.843 -0.617 . . . . 1.46 111.091 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 29.8 m -72.79 -52.17 16.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.142 -0.481 . . . . 0.42 111.262 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 84.3 mtp -64.61 -38.44 91.01 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.32 0.489 . . . . 0.71 112.32 -174.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.663 ' O ' ' HG2' ' A' 1862 ' ' LYS . 31.0 m -62.65 -35.71 71.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.183 -0.607 . . . . 0.29 110.733 -178.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 47.7 mtp180 -71.42 -38.88 71.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.984 0.421 . . . . 3.02 110.733 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.661 ' HB ' HD21 ' A' 1896 ' ' LEU . 6.1 m -69.13 -36.09 77.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.18 -0.463 . . . . 0.35 110.495 179.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.602 ' HB3' HD21 ' A' 1965 ' ' LEU . . . -63.64 -36.1 82.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.25 110.976 177.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' 1858 ' ' VAL . 68.9 mmtt -58.99 -40.8 85.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.235 0.54 . . . . 1.31 110.148 176.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -65.57 -35.81 81.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.349 -0.842 . . . . 0.41 111.616 -176.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.755 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -79.11 -31.42 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.304 -0.558 . . . . 0.28 110.014 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.887 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.77 -41.4 71.75 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.47 -0.332 . . . . 0.2 111.434 -178.347 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.403 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.2 p -66.17 -28.83 44.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.071 0.462 . . . . 0.73 109.953 176.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 87.4 m -73.39 -46.86 46.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.172 -0.467 . . . . 0.25 111.174 177.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.814 HG21 ' HB ' ' A' 1957 ' ' VAL . 6.3 p -67.96 -31.43 51.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 0.28 110.785 178.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.59 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -74.52 -26.99 60.34 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.358 -0.608 . . . . 0.91 109.358 176.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.496 ' HG3' ' CG ' ' A' 1874 ' ' LYS . 6.3 tp10 -74.6 -28.34 60.86 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.038 -0.528 . . . . 0.57 110.08 178.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.542 ' SD ' HD22 ' A' 1882 ' ' LEU . 8.3 mmt -55.62 -45.39 77.56 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.873 -0.603 . . . . 1.25 111.523 179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.596 HG23 HG23 ' A' 1951 ' ' ILE . 9.7 p -65.04 -32.03 56.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.459 0.647 . . . . 0.59 110.778 -177.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . 0.51 ' O ' HG22 ' A' 1877 ' ' THR . 88.4 m -80.17 -54.99 5.24 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 115.351 -0.84 . . . . 0.44 110.661 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.812 ' HG3' HD11 ' A' 1885 ' ' LEU . 8.9 mmpt? -59.33 -40.47 86.43 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 116.167 -0.47 . . . . 1.4 111.493 -177.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 9.6 t -59.56 -24.9 64.1 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.122 0.487 . . . . 1.11 110.875 -177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -82.03 -43.16 18.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.605 . . . . 0.76 112.141 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . 0.51 HG22 ' O ' ' A' 1873 ' ' THR . 1.5 t -108.81 -25.1 10.97 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 113.395 0.887 . . . . 1.32 113.395 -169.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 22.7 m -158.06 76.44 3.67 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.109 -0.33 . . . . 1.17 110.109 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.14 -17.66 59.42 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.73 2.287 . . . . 0.67 112.886 -175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -73.17 -17.91 61.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.832 0.349 . . . . 2.24 111.178 178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.582 ' O ' ' HG ' ' A' 1885 ' ' LEU . 22.6 mt-10 -81.77 -9.77 59.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 1.89 110.922 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.542 HD22 ' SD ' ' A' 1871 ' ' MET . 95.0 mt -67.27 -34.04 76.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.34 111.197 -178.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -59.63 -54.45 37.61 Favored Glycine 0 CA--C 1.522 0.529 0 C-N-CA 121.172 -0.537 . . . . 0.38 112.841 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -52.87 -39.14 78.99 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.863 2.376 . . . . 0.58 112.489 172.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.812 HD11 ' HG3' ' A' 1874 ' ' LYS . 77.9 mt -68.74 -45.24 71.99 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.467 -0.333 . . . . 0.37 110.589 179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.07 -31.14 64.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.115 -0.493 . . . . 0.36 109.777 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -72.98 -49.92 26.27 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.713 -0.676 . . . . 1.43 110.758 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.57 -42.2 92.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.506 -0.316 . . . . 1.07 110.704 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.501 HD12 ' HB ' ' A' 1864 ' ' ILE . 54.9 tp -55.21 -44.4 75.35 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.697 -0.483 . . . . 0.25 109.697 177.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 43.2 m -62.49 -48.8 77.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.406 -0.816 . . . . 0.28 111.013 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 8.5 t -64.31 -51.68 62.22 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.541 -0.754 . . . . 1.17 111.508 -174.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.453 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 5.0 m-20 -67.2 -34.97 78.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.596 -0.274 . . . . 0.8 111.374 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . 0.451 ' CE2' HG23 ' A' 1831 ' ' ILE . 67.3 t80 -63.2 -44.12 96.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.652 0.263 . . . . 0.31 110.429 176.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -58.22 -35.48 78.14 Favored Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.983 -0.627 . . . . 0.31 111.854 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.453 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 91.0 mtt180 -66.83 -49.82 64.54 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.0 -0.37 . . . . 3.04 110.0 177.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.661 HD21 ' HB ' ' A' 1860 ' ' THR . 20.0 mt -57.07 -44.14 82.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.114 -0.494 . . . . 0.86 111.568 177.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . 0.501 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -60.43 -31.11 70.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.995 -0.548 . . . . 0.49 111.522 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 23.2 t -74.87 -47.89 27.8 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.89 0.376 . . . . 1.38 110.152 178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.442 ' O ' ' HD2' ' A' 1902 ' ' PRO . 71.0 mt-30 -66.31 -24.93 66.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 1.56 111.528 -176.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.37 -29.71 70.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.087 -0.506 . . . . 0.34 111.894 -178.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.843 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 99.3 mttt -65.06 -60.05 8.79 Favored Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.794 -0.184 . . . . 2.27 111.312 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.843 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 25.5 Cg_exo -63.92 -31.57 66.95 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 121.858 1.705 . . . . 0.6 111.945 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.55 96.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.771 0.319 . . . . 0.39 110.8 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . 0.443 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -63.63 -41.17 98.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.034 -0.53 . . . . 0.46 111.001 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.516 HG21 ' HA3' ' A' 1844 ' ' GLY . 45.4 t -75.52 -34.69 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.05 -0.523 . . . . 1.26 111.07 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' 1850 ' ' PHE . . . -81.22 -12.07 59.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 0.64 111.775 -177.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . 0.456 ' HA ' ' CD1' ' A' 1850 ' ' PHE . . . -57.46 141.76 46.41 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 0.85 111.42 -177.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -64.26 -25.31 68.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 2.67 110.738 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.505 ' HB3' HG12 ' A' 1912 ' ' ILE . 40.8 t30 -131.45 134.65 46.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.638 -0.71 . . . . 2.18 109.229 179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.4 -44.8 95.33 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.669 0.271 . . . . 2.24 111.479 -174.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.85 -26.75 67.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.318 -0.401 . . . . 2.49 111.114 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.535 HG13 ' HA2' ' A' 1971 ' ' GLY . 43.0 mm -69.49 -40.5 79.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.754 -0.462 . . . . 0.89 109.754 175.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -62.2 -44.09 98.2 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.83 -0.7 . . . . 0.51 111.458 176.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -61.71 -39.99 93.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.273 0.559 . . . . 0.46 110.141 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.546 ' O ' ' HG2' ' A' 1919 ' ' ARG . 2.3 t-160 -61.72 -41.03 97.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.321 -0.854 . . . . 1.62 110.346 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.5 HD11 ' HE1' ' A' 1850 ' ' PHE . 85.0 mt -63.78 -54.97 25.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.4 111.3 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' 1921 ' ' GLN . 12.2 ptmm? -64.44 -31.44 72.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 1.36 111.14 -174.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 37.9 t-80 -73.52 -26.94 61.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.472 -0.331 . . . . 1.91 110.518 179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.729 ' HB3' HG22 ' A' 1964 ' ' VAL . 28.4 mmt180 -74.97 -30.24 61.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.798 0.332 . . . . 2.55 110.86 178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.403 HG11 ' HA ' ' A' 1897 ' ' ALA . 42.4 t -69.18 -30.56 46.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.514 -0.55 . . . . 0.35 109.514 174.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' 1917 ' ' LYS . 18.4 mm-40 -63.61 -41.18 98.33 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.373 -0.603 . . . . 1.22 109.373 174.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.976 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 38.2 mm-40 -55.11 -49.29 72.1 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.045 -0.98 . . . . 1.49 110.156 175.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' 1923 ' ' LEU . 13.1 mt -62.94 -42.43 99.81 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.349 -0.841 . . . . 0.67 111.229 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.84 -51.6 38.71 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.032 -0.604 . . . . 0.64 112.621 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -60.43 -37.31 80.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.779 0.323 . . . . 0.69 111.213 -178.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . 0.603 ' HA3' HG22 ' A' 1957 ' ' VAL . . . -76.49 -52.42 6.04 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.69 -0.767 . . . . 0.25 112.476 179.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . . . . . . . . . 85.8 m -58.0 -43.98 86.96 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 122.302 0.241 . . . . 1.22 111.62 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 16.4 m -56.1 -46.15 79.18 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.111 0.481 . . . . 1.03 110.786 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -70.67 -41.29 72.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.849 -0.614 . . . . 0.28 111.188 -176.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.663 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -61.56 -51.29 69.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.928 -0.578 . . . . 0.28 111.133 -176.617 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 28.6 m -65.76 -32.35 57.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.963 0.411 . . . . 0.26 110.716 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 68.3 m -69.97 -39.5 75.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.929 -0.578 . . . . 0.8 110.793 177.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.503 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 34.7 tptt -70.65 -39.34 73.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.291 -0.413 . . . . 1.27 110.489 -178.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.44 89.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.511 . . . . 0.3 111.466 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.32 -37.43 91.91 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.797 -0.716 . . . . 0.4 112.103 178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -80.47 -27.35 37.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.856 0.36 . . . . 0.5 110.869 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.475 HD12 HD12 ' A' 1882 ' ' LEU . 2.8 tm? -73.87 -36.05 64.79 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 116.256 -0.429 . . . . 0.41 110.065 -177.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.72 -26.08 67.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.143 0.497 . . . . 1.06 110.888 177.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 65.5 m -77.39 -18.89 56.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.79 -0.641 . . . . 1.43 110.458 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 7.1 m -141.51 59.76 10.62 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 0.8 109.686 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -74.77 7.48 2.75 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 122.701 2.267 . . . . 0.69 113.973 -169.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 25.0 t -119.99 -0.65 10.55 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.227 0.536 . . . . 1.54 109.874 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -78.93 140.12 38.13 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.923 -0.58 . . . . 1.16 110.682 -178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 16.9 m -85.2 -41.7 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.208 -0.451 . . . . 1.33 112.024 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.64 -48.22 75.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 1.91 111.197 -175.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 14.0 m -65.07 -40.28 94.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.073 -0.512 . . . . 0.6 110.881 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -67.02 -41.84 85.93 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.093 -0.503 . . . . 1.2 110.42 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -51.8 -48.4 63.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.671 -0.695 . . . . 2.67 111.006 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.503 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 31.4 mt-10 -65.54 -35.6 81.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.925 -0.58 . . . . 1.53 111.638 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.0 tt -68.92 -36.87 78.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.908 -0.404 . . . . 0.31 109.908 178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.596 HG23 HG23 ' A' 1872 ' ' VAL . 96.7 mt -60.9 -43.41 95.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.06 0.457 . . . . 0.35 109.807 173.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.538 ' O ' ' HG3' ' A' 1956 ' ' ARG . 9.3 mm-40 -60.81 -50.47 73.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.69 -0.686 . . . . 2.11 110.378 176.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.576 ' O ' HG23 ' A' 1957 ' ' VAL . 33.8 t -59.88 -41.23 91.12 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.07 -0.514 . . . . 0.88 110.744 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.37 86.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.25 111.568 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.514 ' O ' ' HG3' ' A' 1959 ' ' GLU . 35.7 ptt85 -69.74 -24.6 63.56 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.661 -0.416 . . . . 3.21 110.799 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' 1952 ' ' GLU . 85.6 mtt180 -75.54 -41.67 54.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.526 -0.306 . . . . 3.16 111.165 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.814 ' HB ' HG21 ' A' 1868 ' ' VAL . 88.0 t -64.91 -40.48 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 120.931 0.396 . . . . 0.3 110.536 178.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 50.8 m -56.92 -31.4 64.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.978 -0.555 . . . . 1.13 111.863 178.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' 1955 ' ' ARG . 48.1 mt-10 -73.85 -24.95 59.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.309 0.576 . . . . 1.86 110.517 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.976 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 75.1 mmtt -76.32 -41.08 49.71 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.865 -0.607 . . . . 0.65 110.012 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.887 HG11 ' HB2' ' A' 1865 ' ' ALA . 12.1 t -57.86 -45.4 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.27 111.186 -177.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 22.4 p -62.77 -31.34 72.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 1.3 110.661 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.491 ' HB3' ' NE ' ' A' 1919 ' ' ARG . 60.1 m170 -76.0 -39.29 56.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 1.11 110.51 176.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.729 HG22 ' HB3' ' A' 1919 ' ' ARG . 64.9 t -59.77 -51.1 76.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 N-CA-C 109.926 -0.398 . . . . 0.35 109.926 176.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.602 HD21 ' HB3' ' A' 1861 ' ' ALA . 84.1 mt -57.39 -45.45 84.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.704 -0.68 . . . . 0.35 110.967 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.86 70.2 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.843 -0.617 . . . . 0.4 112.028 -177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -61.89 -28.31 69.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.46 111.041 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.702 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.5 mm? -72.81 -48.88 34.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.5 111.564 -179.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -73.34 -18.95 61.13 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.851 -0.34 . . . . 1.7 110.705 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -66.58 -23.36 66.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.211 -0.45 . . . . 0.93 110.402 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . 0.535 ' HA2' HG13 ' A' 1912 ' ' ILE . . . -69.47 -22.97 76.68 Favored Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.944 -0.571 . . . . 2.0 112.455 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 15.4 m120 62.38 84.84 0.13 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.074 0.464 . . . . 5.01 111.113 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . 0.521 ' NE ' ' HA ' ' A' 1973 ' ' ARG . 4.7 tpm_? . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.579 -0.724 . . . . 7.5 109.919 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.479 0 N-CA-C 111.952 -0.459 . . . . 21.55 111.952 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . 0.507 ' O ' ' HD3' ' A' 1812 ' ' PRO . 51.4 mm -75.48 -25.5 17.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.252 0.549 . . . . 20.33 109.771 177.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -104.5 96.3 9.97 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.654 -0.703 . . . . 19.2 109.322 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' 1810 ' ' ILE . 23.1 Cg_exo -64.11 -68.34 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.882 2.388 . . . . 18.2 112.578 -175.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -142.39 87.9 2.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.336 -0.393 . . . . 20.33 110.358 -179.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 11.4 t -69.25 114.25 7.34 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.169 -0.678 . . . . 16.69 109.169 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 7.1 t30 -88.39 99.43 12.26 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.977 -0.556 . . . . 16.15 110.771 -175.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -96.63 102.5 14.29 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.352 -0.61 . . . . 14.41 109.352 174.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -102.71 173.2 6.44 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.833 -0.621 . . . . 12.08 110.679 -177.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -87.7 106.02 17.76 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.597 -0.52 . . . . 10.45 109.597 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 23.4 t -163.03 119.43 1.83 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 8.54 110.421 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -81.52 -4.89 57.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.961 -0.563 . . . . 6.8 110.803 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -81.24 105.67 12.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.138 -0.483 . . . . 4.72 110.666 -179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -88.87 11.38 69.19 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.014 -0.612 . . . . 3.52 112.043 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . 0.585 HG13 ' H ' ' A' 1824 ' ' VAL . 2.5 p -114.31 -105.62 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 119.067 -0.492 . . . . 2.13 110.081 177.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.585 ' H ' HG13 ' A' 1823 ' ' VAL . 82.1 t -148.33 -79.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.173 0 CA-C-N 118.893 0.769 . . . . 1.83 110.207 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . 0.669 ' O ' HG12 ' A' 1828 ' ' VAL . . . 54.67 -106.34 0.5 Allowed Glycine 0 C--N 1.331 0.278 0 CA-C-N 116.178 -0.464 . . . . 2.1 113.228 178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -59.1 -24.39 58.48 Favored Glycine 0 N--CA 1.454 -0.148 0 C-N-CA 121.26 -0.495 . . . . 0.91 112.962 -178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.512 ' SD ' ' HA ' ' A' 1824 ' ' VAL . 28.0 mtp -63.68 -39.59 94.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.779 -0.21 . . . . 1.1 111.543 -179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' 1825 ' ' GLY . 8.2 p -68.76 -31.36 50.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.146 0.498 . . . . 0.74 109.741 -178.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.41 -42.13 98.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.679 -0.691 . . . . 0.87 110.119 174.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 23.3 m -63.53 -36.37 83.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.97 110.996 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.452 HG23 ' CE2' ' A' 1893 ' ' TYR . 66.9 mt -66.66 -47.4 83.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.98 0.419 . . . . 0.32 110.342 177.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 37.2 m -62.56 -37.04 84.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.61 110.754 177.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.29 -41.19 98.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 2.49 110.014 176.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' 1837 ' ' GLN . . . -61.11 -35.68 77.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.965 -0.561 . . . . 0.34 110.997 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . 0.485 ' HA ' HE22 ' A' 1921 ' ' GLN . 46.7 mt -62.57 -48.63 87.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.296 -0.411 . . . . 0.49 110.002 175.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -67.06 -38.15 85.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.493 -0.776 . . . . 0.72 112.142 -175.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' 1834 ' ' ALA . 12.3 pt20 -65.65 -33.36 75.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.918 0.39 . . . . 1.0 110.542 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.548 HD23 ' HG2' ' A' 1901 ' ' LYS . 84.2 mt -77.16 -40.58 44.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.79 110.481 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 31.8 t70 -70.89 -27.31 63.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.559 -0.746 . . . . 1.79 110.523 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.77 -56.68 17.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.706 -0.679 . . . . 3.25 110.582 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . -177.16 162.4 30.51 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.943 -0.646 . . . . 1.73 111.729 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . 0.516 ' O ' ' HB3' ' A' 1901 ' ' LYS . 59.3 Cg_endo -77.39 -88.86 0.0 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.266 1.978 . . . . 2.43 112.44 179.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . 0.534 ' HB3' ' HA ' ' A' 1902 ' ' PRO . 13.2 tpt 173.17 163.65 0.14 Allowed 'General case' 0 C--N 1.333 -0.139 0 N-CA-C 108.697 -0.853 . . . . 5.03 108.697 -178.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . -133.79 137.78 9.59 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 111.163 -0.775 . . . . 1.86 111.163 173.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 34.4 t70 59.23 75.62 0.5 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.513 0.673 . . . . 3.08 110.525 -173.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -74.7 173.95 13.5 Favored 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.787 2.324 . . . . 1.21 111.893 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -75.42 -71.11 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.794 -0.447 . . . . 2.82 109.794 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -94.61 -172.21 37.87 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.807 -0.711 . . . . 1.14 111.651 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 37.7 m -96.55 -170.05 2.0 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.068 -0.345 . . . . 1.64 110.068 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.572 ' HE1' HD11 ' A' 1916 ' ' ILE . 86.8 t80 -58.2 -42.59 86.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.91 -0.132 . . . . 0.68 111.255 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 8.9 p -61.85 -33.8 59.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.79 111.4 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.35 -48.4 70.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.128 0.49 . . . . 1.71 110.604 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -73.16 -34.48 66.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 1.07 110.669 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.666 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 57.0 tt0 -56.61 -57.09 13.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.469 -0.332 . . . . 0.99 110.922 177.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 15.8 p -60.55 -31.0 70.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.059 -0.519 . . . . 1.46 111.23 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 88.5 m -73.12 -51.68 17.05 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.38 -0.373 . . . . 0.42 110.866 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 87.9 mtp -65.23 -42.42 93.4 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.327 0.491 . . . . 0.71 112.327 -175.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.719 ' O ' ' HG3' ' A' 1862 ' ' LYS . 18.9 m -62.93 -31.37 52.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.306 0 C-N-CA 120.123 -0.631 . . . . 0.29 110.748 -177.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -73.18 -43.64 61.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.796 0.331 . . . . 3.02 110.626 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . . . . . . . . . 13.4 m -67.23 -33.11 74.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.35 110.684 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.523 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.68 -42.87 95.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.391 -0.368 . . . . 0.25 110.89 177.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.719 ' HG3' ' O ' ' A' 1858 ' ' VAL . 85.8 mttt -62.65 -32.34 73.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.138 0.494 . . . . 1.31 110.329 176.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -67.43 -38.64 84.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.763 -0.653 . . . . 0.41 111.25 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.76 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.58 -29.15 14.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.1 -0.64 . . . . 0.28 109.838 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.848 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.99 -43.39 74.97 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.336 -0.393 . . . . 0.2 111.266 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.46 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 11.0 p -65.85 -25.38 36.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.226 0.536 . . . . 0.73 110.123 176.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 95.8 m -76.85 -47.67 20.68 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.013 -0.539 . . . . 0.25 111.147 177.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.716 HG23 HD11 ' A' 1930 ' ' LEU . 3.7 p -66.78 -34.61 71.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.869 0.366 . . . . 0.28 110.676 178.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.572 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -70.75 -26.0 63.17 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.644 -0.502 . . . . 0.91 109.644 176.532 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' 1874 ' ' LYS . 8.6 tp10 -75.77 -31.21 59.41 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.695 -0.483 . . . . 0.57 109.695 177.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.542 ' SD ' HD22 ' A' 1882 ' ' LEU . 8.5 mmt -55.06 -47.77 74.37 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.891 -0.595 . . . . 1.25 111.592 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.782 HG23 HG23 ' A' 1951 ' ' ILE . 10.0 p -64.43 -31.71 54.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.376 0.608 . . . . 0.59 110.709 -178.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 96.4 m -79.12 -51.54 9.4 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.494 -0.775 . . . . 0.44 110.923 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.725 ' HG3' HD11 ' A' 1885 ' ' LEU . 8.5 mmpt? -63.63 -29.79 70.99 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-N 116.145 -0.48 . . . . 1.4 111.783 -175.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.518 ' HB3' ' HG3' ' A' 1947 ' ' LYS . 50.3 m -62.32 -26.59 68.52 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.948 -0.701 . . . . 1.11 110.587 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -82.48 -33.02 28.55 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.883 -0.598 . . . . 0.76 111.485 178.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 20.0 p -108.34 -45.36 3.92 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.171 0.804 . . . . 1.32 113.171 -172.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 69.0 m -146.68 81.32 9.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.593 0.235 . . . . 1.17 110.97 -169.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.47 -23.36 76.55 Favored 'Trans proline' 0 CA--C 1.529 0.246 0 C-N-CA 122.676 2.251 . . . . 0.67 112.948 -178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.72 -18.22 61.02 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.12 -0.232 . . . . 2.24 111.54 -177.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.607 ' O ' ' HG ' ' A' 1885 ' ' LEU . 37.4 mt-10 -81.39 -10.54 59.51 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 121.06 -0.256 . . . . 1.89 111.318 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.542 HD22 ' SD ' ' A' 1871 ' ' MET . 90.6 mt -64.62 -33.97 77.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.578 0.228 . . . . 0.34 111.005 -177.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -62.53 -54.81 31.24 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.965 -0.636 . . . . 0.38 112.912 177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.44 ' HD2' ' C ' ' A' 1881 ' ' GLU . 54.8 Cg_exo -55.16 -34.57 88.22 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 122.625 2.217 . . . . 0.58 112.741 172.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.725 HD11 ' HG3' ' A' 1874 ' ' LYS . 69.6 mt -71.87 -43.96 64.57 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 121.03 -0.268 . . . . 0.37 110.393 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.16 -36.95 71.37 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.6 -0.519 . . . . 0.36 109.6 174.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . 0.446 ' HA ' ' HE3' ' A' 1827 ' ' MET . 3.6 m-80 -60.3 -53.77 53.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.149 -0.932 . . . . 1.43 111.328 177.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -67.56 -43.53 80.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.456 -0.338 . . . . 1.07 110.944 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.473 HD12 ' HB ' ' A' 1864 ' ' ILE . 52.1 tp -54.51 -40.5 68.63 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.009 0.433 . . . . 0.25 110.17 178.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 53.7 m -65.73 -47.14 76.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.637 -0.711 . . . . 0.28 111.053 177.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 12.8 t -68.98 -49.89 53.88 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.097 -0.502 . . . . 1.17 111.359 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -64.57 -32.32 73.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.392 -0.367 . . . . 0.8 110.834 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' 1923 ' ' LEU . 42.6 t80 -62.59 -44.54 96.06 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.711 -0.396 . . . . 0.31 110.031 173.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.11 -32.44 63.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.084 -0.579 . . . . 0.31 112.052 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.554 ' O ' ' HG2' ' A' 1899 ' ' GLN . 65.1 mtp180 -67.94 -46.14 72.31 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.968 -0.382 . . . . 3.04 109.968 177.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . . . . . . . . . 64.7 mt -57.67 -46.12 84.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.86 110.752 176.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -66.8 -26.21 66.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.031 -0.531 . . . . 0.49 111.051 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 24.5 t -72.5 -39.71 67.42 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.219 -0.446 . . . . 1.38 110.251 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' 1895 ' ' ARG . 47.6 mm-40 -77.44 -36.16 53.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 1.56 110.608 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -59.31 -33.29 70.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.832 0.678 . . . . 0.34 112.832 -173.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.879 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 8.6 mtpm? -60.51 -60.24 11.26 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 121.055 -0.258 . . . . 2.27 111.087 -178.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.879 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 15.6 Cg_exo -69.75 -29.36 24.01 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 121.877 1.718 . . . . 0.6 112.289 176.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -60.51 -35.36 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.772 0.32 . . . . 0.39 111.058 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . 0.456 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -61.59 -46.09 91.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.46 111.207 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' 1902 ' ' PRO . 9.9 p -76.67 -26.49 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.943 0.402 . . . . 1.26 110.949 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.32 -18.24 59.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.64 111.125 -178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -66.73 156.54 35.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.494 -0.321 . . . . 0.85 110.897 178.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -77.6 -17.46 57.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.051 -0.522 . . . . 2.67 110.795 -175.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . . . . . . . . . 41.4 t30 -139.7 137.82 35.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.991 -0.55 . . . . 2.18 110.221 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -54.02 -40.05 66.69 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.583 0.552 . . . . 2.24 111.01 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' 1915 ' ' HIS . 43.0 mt-10 -60.3 -39.04 85.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 2.49 111.016 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' 1916 ' ' ILE . 46.0 mm -67.08 -45.34 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.209 -0.45 . . . . 0.89 109.98 178.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.456 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -61.87 -44.8 97.35 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.808 -0.71 . . . . 0.51 111.692 177.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' 1917 ' ' LYS . . . -59.67 -42.54 93.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.16 0.505 . . . . 0.46 110.234 175.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.424 ' O ' ' HG2' ' A' 1919 ' ' ARG . 4.3 t-80 -60.08 -43.01 95.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.272 -0.876 . . . . 1.62 110.192 179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.572 HD11 ' HE1' ' A' 1850 ' ' PHE . 86.3 mt -61.06 -56.22 19.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.21 -0.45 . . . . 0.4 111.22 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.628 ' O ' ' HG2' ' A' 1921 ' ' GLN . 9.9 ptpt -64.06 -38.59 91.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 1.36 111.162 -177.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -69.09 -30.95 69.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.581 0.229 . . . . 1.91 111.056 -177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.738 ' HA ' ' HE ' ' A' 1919 ' ' ARG . 1.6 mmp_? -78.12 -24.7 47.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.849 0.357 . . . . 2.55 110.696 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' 1916 ' ' ILE . 61.8 t -73.94 -28.88 24.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.277 0.561 . . . . 0.35 109.494 173.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.628 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.2 mm-40 -62.0 -31.45 71.82 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.987 -0.552 . . . . 1.22 109.91 174.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.507 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 37.3 mm-40 -55.56 -53.88 50.95 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 115.776 -0.647 . . . . 1.49 110.349 177.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.682 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 12.0 mt -66.97 -29.64 69.55 Favored 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 109.53 -0.544 . . . . 0.67 109.53 178.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . 0.449 ' O ' ' HB2' ' A' 1928 ' ' SER . . . -57.04 -33.7 64.66 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.577 -0.82 . . . . 0.64 111.978 176.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -94.71 -42.57 8.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.741 0.305 . . . . 0.69 110.435 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -70.61 -53.11 13.13 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 116.167 -0.47 . . . . 0.25 113.06 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.682 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 92.4 m -62.7 -34.81 77.91 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.194 -0.299 . . . . 1.22 110.194 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' 1924 ' ' GLY . 23.1 t -56.49 -50.31 72.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.302 0.572 . . . . 1.03 109.841 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.31 86.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.402 -0.817 . . . . 0.28 110.83 -178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.716 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.61 -53.63 55.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 0.28 110.744 -178.255 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . . . . . . . . . 32.6 m -64.25 -39.19 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.26 110.564 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 95.1 m -62.8 -40.98 99.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.12 0.486 . . . . 0.8 110.57 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.567 ' HE3' HG23 ' A' 1946 ' ' THR . 42.9 tptt -67.52 -39.55 85.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.797 -0.638 . . . . 1.27 110.262 -179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -57.29 -45.55 84.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 0.3 111.157 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . 0.419 ' CA ' HG23 ' A' 1823 ' ' VAL . . . -59.49 -41.96 97.39 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.755 -0.736 . . . . 0.4 112.182 177.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -70.29 -29.06 65.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.879 0.371 . . . . 0.5 110.874 178.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -73.08 -42.81 62.61 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 109.66 -0.496 . . . . 0.41 109.66 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -62.7 -24.88 67.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.927 0.394 . . . . 1.06 111.5 178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 99.3 m -67.59 -31.76 72.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.016 -0.538 . . . . 1.43 110.667 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 50.6 m -151.8 72.06 8.03 Favored Pre-proline 0 C--N 1.327 -0.407 0 N-CA-C 109.551 -0.537 . . . . 0.8 109.551 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.84 -22.56 18.25 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.511 2.808 . . . . 0.69 113.332 -176.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 47.8 m -70.15 -20.88 63.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.948 -0.569 . . . . 1.54 112.144 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -71.48 113.7 8.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.979 0.418 . . . . 1.16 110.889 -174.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 41.4 t -71.04 -39.51 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.978 -0.556 . . . . 1.33 110.989 -176.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.475 ' O ' ' HG3' ' A' 1949 ' ' GLU . 43.1 t80 -62.33 -50.26 72.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.101 -0.5 . . . . 1.91 110.585 -176.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.567 HG23 ' HE3' ' A' 1933 ' ' LYS . 31.7 m -62.37 -40.84 97.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.081 -0.509 . . . . 0.6 110.806 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.518 ' HG3' ' HB3' ' A' 1875 ' ' SER . 38.6 ttpt -63.4 -43.98 95.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.945 -0.57 . . . . 1.2 110.476 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.403 ' HA ' HD12 ' A' 1951 ' ' ILE . 40.5 ttmt -64.57 -38.36 90.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 2.67 110.546 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' 1945 ' ' TYR . 50.9 mt-10 -64.72 -34.4 78.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.614 -0.266 . . . . 1.53 110.984 178.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.2 tt -69.55 -38.91 77.66 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.617 -0.512 . . . . 0.31 109.617 175.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.782 HG23 HG23 ' A' 1872 ' ' VAL . 91.7 mt -56.56 -43.58 78.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.194 0.521 . . . . 0.35 109.712 172.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.604 ' O ' ' HG3' ' A' 1956 ' ' ARG . 21.2 mm-40 -62.95 -46.55 87.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.59 -0.732 . . . . 2.11 110.744 175.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.473 ' O ' HG23 ' A' 1957 ' ' VAL . 73.3 m -57.42 -41.92 81.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.767 0.317 . . . . 0.88 110.538 177.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.59 -51.41 69.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.034 -0.53 . . . . 0.25 111.637 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.532 ' O ' ' HG3' ' A' 1959 ' ' GLU . 7.5 ptm180 -62.73 -34.28 76.85 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.768 -0.373 . . . . 3.21 110.997 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.604 ' HG3' ' O ' ' A' 1952 ' ' GLU . 97.6 mtt180 -66.09 -45.57 80.77 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.849 0.357 . . . . 3.16 110.816 178.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.657 ' HB ' HG21 ' A' 1868 ' ' VAL . 91.7 t -65.51 -40.95 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.3 110.643 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 23.1 m -57.97 -36.62 72.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.362 -0.381 . . . . 1.13 110.915 176.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' 1955 ' ' ARG . 47.0 mt-10 -64.59 -35.34 80.68 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.153 0.501 . . . . 1.86 110.376 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.507 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 74.1 mmtt -70.48 -40.56 73.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.758 -0.655 . . . . 0.65 110.79 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.848 HG11 ' HB2' ' A' 1865 ' ' ALA . 22.1 t -55.39 -41.98 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.944 0.402 . . . . 0.27 110.48 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 44.0 t -57.03 -40.24 76.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.73 -0.668 . . . . 1.3 110.623 177.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 65.0 m170 -76.9 -29.57 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.007 -0.542 . . . . 1.11 110.734 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' 1960 ' ' LYS . 67.1 t -67.82 -49.91 64.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.111 0.482 . . . . 0.35 109.831 175.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' 1969 ' ' GLN . 82.3 mt -59.08 -41.27 87.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.697 -0.683 . . . . 0.35 110.495 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -62.5 -34.41 76.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.791 -0.641 . . . . 0.4 111.202 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -58.03 -42.19 84.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 0.46 110.865 179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.666 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -72.1 -39.55 68.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.5 110.734 177.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' 1965 ' ' LEU . 31.4 mm-40 -64.69 -32.71 74.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.214 -0.448 . . . . 1.7 110.53 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -79.53 -23.6 42.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.898 -0.592 . . . . 0.93 111.282 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -77.64 -33.46 42.66 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.689 -0.767 . . . . 2.0 112.685 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -84.25 124.56 31.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.815 0.34 . . . . 5.01 110.435 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.726 -0.654 . . . . 7.5 110.222 -179.864 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.888 -0.485 . . . . 21.55 111.888 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 2.6 pp -106.41 -1.75 9.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.953 0.406 . . . . 20.33 111.092 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 14.2 t70 -68.04 131.76 92.19 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.767 -0.652 . . . . 19.2 109.513 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.6 -22.7 50.57 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.401 2.067 . . . . 18.2 112.83 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 25.2 m-85 68.57 -59.1 0.46 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.654 0.782 . . . . 20.33 110.585 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 3.9 t -136.16 102.82 5.12 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.489 -0.93 . . . . 16.69 108.489 173.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 48.5 t30 -83.88 105.12 14.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.033 -0.53 . . . . 16.15 111.611 -171.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -115.39 -15.96 11.48 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.829 -0.623 . . . . 14.41 109.683 175.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . 60.94 21.41 11.68 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.309 -0.859 . . . . 12.08 111.669 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -92.98 -17.73 23.57 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.164 0.507 . . . . 10.45 110.402 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 49.6 m -149.67 -47.85 0.14 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.779 -0.646 . . . . 8.54 110.918 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . 72.06 -48.2 0.68 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.521 0.728 . . . . 6.8 111.069 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -137.01 139.12 41.19 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.482 -0.562 . . . . 4.72 109.482 175.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -81.99 45.89 3.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.114 -0.565 . . . . 3.52 112.27 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 40.7 t -129.38 -33.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.761 0.315 . . . . 2.13 111.215 -178.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' 1932 ' ' THR . 8.9 p -134.9 10.87 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 120.983 0.421 . . . . 1.83 111.137 -172.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -56.73 -47.04 88.4 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.394 -0.431 . . . . 2.1 113.369 -174.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -76.02 -27.0 63.13 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.66 -0.781 . . . . 0.91 112.12 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.537 ' CE ' HG23 ' A' 1824 ' ' VAL . 24.6 mtp -75.49 -45.36 38.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.719 0.295 . . . . 1.1 110.963 -178.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 8.6 p -66.74 -24.18 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.036 0.446 . . . . 0.74 110.387 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 31.6 t70 -65.34 -39.92 93.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.87 109.985 175.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 22.6 t -63.69 -38.78 92.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.996 -0.547 . . . . 0.97 110.023 177.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.61 HG23 ' CE2' ' A' 1893 ' ' TYR . 30.2 mt -66.15 -43.59 92.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-N 116.107 -0.497 . . . . 0.32 110.235 176.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 50.9 m -60.16 -41.11 92.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.61 110.757 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.25 -39.8 88.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 2.49 110.17 175.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.511 ' HA ' ' HG2' ' A' 1837 ' ' GLN . . . -65.29 -30.57 71.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.872 -0.604 . . . . 0.34 111.511 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' 1831 ' ' ILE . 23.9 mt -65.85 -49.03 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.351 0.596 . . . . 0.49 109.853 175.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -71.21 -39.58 71.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.26 -0.882 . . . . 0.72 111.717 -175.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' A' 1834 ' ' ALA . 10.2 pt20 -61.73 -25.78 67.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.518 -176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' 1834 ' ' ALA . 80.1 mt -65.42 -35.75 81.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.034 0.445 . . . . 0.79 110.58 178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 35.3 t70 -87.44 -36.19 17.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.999 -0.546 . . . . 1.79 110.857 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -95.99 20.01 10.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 3.25 111.249 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . 0.598 ' HA3' ' HG3' ' A' 1901 ' ' LYS . . . -79.71 176.61 54.63 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.908 -0.663 . . . . 1.73 112.986 -177.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.24 144.42 99.4 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.294 2.663 . . . . 2.43 113.022 -177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 26.4 mmt -82.96 -21.43 34.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.681 -0.691 . . . . 5.03 110.082 178.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . 0.756 ' HA2' HG11 ' A' 1905 ' ' VAL . . . -160.29 -173.59 29.02 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.706 -0.679 . . . . 1.86 112.248 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 31.7 t70 60.68 76.97 0.39 Allowed Pre-proline 0 C--N 1.327 -0.411 0 C-N-CA 123.499 0.72 . . . . 3.08 112.229 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -78.95 170.98 17.15 Favored 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.696 2.264 . . . . 1.21 110.564 166.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -104.22 31.44 4.59 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.161 0.505 . . . . 2.82 110.578 179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . 163.62 -173.85 39.76 Favored Glycine 0 N--CA 1.447 -0.598 0 CA-C-N 115.891 -0.595 . . . . 1.14 111.672 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 38.3 t -90.66 175.45 7.03 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.739 -0.467 . . . . 1.64 109.739 179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.535 ' HE1' HD11 ' A' 1916 ' ' ILE . 91.1 t80 -61.13 -38.36 86.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.405 -0.361 . . . . 0.68 110.233 178.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.6 p -60.86 -37.2 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.79 111.071 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -64.09 -50.66 67.43 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.134 0.493 . . . . 1.71 110.458 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -70.56 -36.23 73.53 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.824 -0.626 . . . . 1.07 111.39 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.657 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 59.7 tt0 -55.58 -55.85 27.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.098 0.249 . . . . 0.99 111.386 -179.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.497 ' O ' ' HG3' ' A' 1859 ' ' ARG . 13.2 t -63.09 -34.3 77.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.43 -0.35 . . . . 1.46 111.175 -175.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 26.2 m -74.4 -44.87 50.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.761 0.315 . . . . 0.42 110.943 178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 37.2 mmm -61.52 -42.39 98.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.71 111.706 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.712 ' O ' ' HG3' ' A' 1862 ' ' LYS . 31.0 m -64.01 -30.15 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.348 -0.541 . . . . 0.29 110.648 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' 1855 ' ' THR . 63.6 mtp180 -71.62 -47.85 51.88 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.823 0.345 . . . . 3.02 110.434 178.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.584 ' HB ' HD13 ' A' 1896 ' ' LEU . 3.0 m -65.02 -33.73 76.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.074 -0.512 . . . . 0.35 110.989 -178.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' 1864 ' ' ILE . . . -65.19 -42.35 93.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.372 -0.376 . . . . 0.25 110.948 178.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.712 ' HG3' ' O ' ' A' 1858 ' ' VAL . 80.6 mttt -64.03 -35.29 80.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.032 0.444 . . . . 1.31 110.039 177.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.98 92.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.565 -0.743 . . . . 0.41 111.32 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.739 HD11 HG22 ' A' 1961 ' ' VAL . 1.2 pp -78.73 -28.03 14.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.441 -0.503 . . . . 0.28 110.196 178.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.859 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -69.65 -43.04 73.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.347 -0.388 . . . . 0.2 111.469 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.423 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 14.3 p -66.85 -26.32 36.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.227 0.537 . . . . 0.73 110.002 177.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 75.6 m -74.22 -47.71 33.67 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.61 -0.723 . . . . 0.25 110.844 176.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.824 HG21 ' HB ' ' A' 1957 ' ' VAL . 7.3 p -69.38 -32.38 53.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.723 0.297 . . . . 0.28 111.063 -179.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' 1870 ' ' GLU . 0.0 OUTLIER -69.53 -26.2 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.325 0.583 . . . . 0.91 109.431 175.628 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.468 ' HG3' ' HG3' ' A' 1874 ' ' LYS . 7.5 tp10 -77.83 -33.09 52.51 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 116.078 -0.51 . . . . 0.57 109.685 177.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.512 ' SD ' HD22 ' A' 1882 ' ' LEU . 5.6 mmt -54.14 -54.93 32.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.888 -0.596 . . . . 1.25 111.358 177.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.665 HG23 HG23 ' A' 1951 ' ' ILE . 11.9 p -59.32 -36.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.516 0.674 . . . . 0.59 110.969 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 85.9 m -76.28 -46.85 25.98 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.125 -0.943 . . . . 0.44 111.118 -176.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.569 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 7.3 mmpt? -77.21 -25.38 51.63 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-N 116.189 -0.459 . . . . 1.4 111.819 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.445 ' O ' ' HD2' ' A' 1947 ' ' LYS . 20.6 t -63.01 -31.26 72.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.32 0.581 . . . . 1.11 110.036 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -80.0 -27.5 39.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.568 -0.742 . . . . 0.76 111.622 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 11.5 p -109.34 -45.54 3.71 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.994 0.738 . . . . 1.32 112.994 -172.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . 0.426 ' HB3' ' HG3' ' A' 1881 ' ' GLU . 69.5 m -140.82 91.29 9.25 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 116.336 -0.393 . . . . 1.17 111.07 -169.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -67.8 -27.1 37.96 Favored 'Trans proline' 0 CA--C 1.528 0.182 0 C-N-CA 122.549 2.166 . . . . 0.67 113.326 -174.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -82.71 -9.8 59.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 2.24 111.194 -177.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.485 ' O ' ' HG ' ' A' 1885 ' ' LEU . 31.0 mt-10 -82.14 -10.26 59.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.754 0.311 . . . . 1.89 110.577 174.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.512 HD22 ' SD ' ' A' 1871 ' ' MET . 95.8 mt -72.63 -31.13 64.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.491 . . . . 0.34 111.639 -176.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . 0.412 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -60.59 -55.36 30.38 Favored Glycine 0 CA--C 1.522 0.517 0 C-N-CA 120.941 -0.647 . . . . 0.38 113.174 -179.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' 1883 ' ' GLY . 9.9 Cg_endo -56.39 -35.81 96.62 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.531 2.154 . . . . 0.58 112.371 174.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' 1881 ' ' GLU . 80.2 mt -70.93 -43.06 68.99 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.567 -0.288 . . . . 0.37 110.466 179.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -56.71 -36.49 69.72 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.264 -0.426 . . . . 0.36 109.874 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -71.78 -44.22 64.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.099 -0.5 . . . . 1.43 110.687 -179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.51 -47.85 79.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.23 -0.441 . . . . 1.07 110.58 177.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.664 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 44.4 tp -54.66 -43.25 72.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.011 -0.54 . . . . 0.25 109.889 176.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . 0.497 HG23 HG13 ' A' 1831 ' ' ILE . 51.8 m -61.79 -49.61 75.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.555 -0.748 . . . . 0.28 111.382 177.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' 1895 ' ' ARG . 81.5 p -67.7 -48.46 66.47 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.904 0.383 . . . . 1.17 111.29 -173.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . 0.439 ' HA ' ' HD2' ' A' 1895 ' ' ARG . 7.4 m-20 -62.78 -37.6 87.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.973 -0.558 . . . . 0.8 111.273 179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . 0.61 ' CE2' HG23 ' A' 1831 ' ' ILE . 50.9 t80 -63.02 -44.69 95.27 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.762 -0.375 . . . . 0.31 110.488 175.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -56.56 -42.4 90.25 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.84 -0.695 . . . . 0.31 111.72 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' 1892 ' ' ASP . 74.4 mtt180 -61.98 -49.98 73.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.799 0.333 . . . . 3.04 110.493 177.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.584 HD13 ' HB ' ' A' 1860 ' ' THR . 21.2 tp -56.79 -51.47 68.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.826 -0.625 . . . . 0.86 110.892 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . . . . . . . . . . . -63.17 -30.6 71.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.34 -0.391 . . . . 0.49 111.716 -176.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 49.5 m -73.28 -32.3 64.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.851 0.357 . . . . 1.38 110.755 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -79.36 -29.3 42.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.995 -0.548 . . . . 1.56 110.825 176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -60.69 -42.72 97.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.688 -0.687 . . . . 0.34 112.75 -174.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.598 ' HG3' ' HA3' ' A' 1841 ' ' GLY . 5.0 tmtt? -65.12 -54.62 32.17 Favored Pre-proline 0 CA--C 1.539 0.538 0 C-N-CA 121.002 -0.279 . . . . 2.27 111.405 -176.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' 1901 ' ' LYS . 32.6 Cg_exo -61.01 -30.18 89.26 Favored 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.038 1.825 . . . . 0.6 112.266 176.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.33 97.4 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 121.144 0.497 . . . . 0.39 110.251 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . 0.451 ' HA ' ' HA2' ' A' 1913 ' ' GLY . . . -63.09 -37.55 87.66 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.339 -0.846 . . . . 0.46 111.142 178.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . 0.756 HG11 ' HA2' ' A' 1844 ' ' GLY . 46.7 t -75.52 -26.63 18.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.806 -0.634 . . . . 1.26 110.464 178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -84.06 -12.65 54.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.728 -0.669 . . . . 0.64 111.196 -179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -69.05 147.11 52.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.215 -0.448 . . . . 0.85 110.873 179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -67.97 -40.8 83.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 2.67 110.432 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.699 ' HB3' HG12 ' A' 1912 ' ' ILE . 47.1 t-20 -106.16 137.05 44.78 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.722 -0.672 . . . . 2.18 109.941 -179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.33 -38.23 90.32 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.294 -0.412 . . . . 2.24 109.904 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.8 -35.67 77.06 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-O 120.884 0.373 . . . . 2.49 110.629 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.699 HG12 ' HB3' ' A' 1909 ' ' ASN . 34.8 mm -66.43 -43.59 91.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.816 -0.629 . . . . 0.89 109.954 178.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' A' 1904 ' ' ALA . . . -64.62 -46.62 89.5 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.753 -0.736 . . . . 0.51 111.885 176.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . 0.407 ' HA ' ' HE2' ' A' 1917 ' ' LYS . . . -55.8 -41.12 73.68 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.06 0.457 . . . . 0.46 110.352 176.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' 1919 ' ' ARG . 3.4 t-80 -59.76 -46.15 90.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.283 -0.871 . . . . 1.62 110.609 -178.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.535 HD11 ' HE1' ' A' 1850 ' ' PHE . 79.7 mt -59.29 -54.67 31.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.413 -0.358 . . . . 0.4 110.908 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' 1914 ' ' ALA . 48.1 mtmt -59.42 -47.34 85.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 1.36 110.872 -177.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 48.5 m170 -65.31 -34.46 78.39 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.521 -0.763 . . . . 1.91 111.792 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' 1915 ' ' HIS . 6.6 mmp_? -73.02 -31.73 64.66 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 121.035 -0.266 . . . . 2.55 110.78 178.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' 1916 ' ' ILE . 93.0 t -67.1 -32.18 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.092 0.472 . . . . 0.35 110.294 176.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -64.22 -22.57 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.019 -0.537 . . . . 1.22 110.977 179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.515 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 6.5 mm-40 -57.45 -43.22 83.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.473 -0.566 . . . . 1.49 109.473 171.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.406 ' HB2' ' CE1' ' A' 1893 ' ' TYR . 52.3 mt -73.37 -26.85 61.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.648 -0.706 . . . . 0.67 109.714 173.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -55.5 -33.43 58.92 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.585 -0.817 . . . . 0.64 111.455 173.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -93.85 -39.21 10.83 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.961 0.41 . . . . 0.69 110.55 176.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -72.0 -53.63 9.15 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 121.192 -0.528 . . . . 0.25 113.493 -176.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.664 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 22.3 t -62.26 -44.44 96.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.729 0.265 . . . . 1.22 110.37 -175.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 15.3 m -53.69 -51.29 63.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.091 -0.504 . . . . 1.03 110.63 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.49 98.42 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.689 -0.687 . . . . 0.28 111.096 -178.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.63 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -63.54 -52.56 60.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.28 110.808 -178.483 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.517 ' HB ' HG21 ' A' 1824 ' ' VAL . 28.2 m -66.87 -31.93 55.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.697 0.284 . . . . 0.26 110.864 -177.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . 0.576 ' HA ' HG11 ' A' 1824 ' ' VAL . 97.2 m -65.73 -43.94 87.53 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.23 0.538 . . . . 0.8 110.113 174.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.613 ' HE3' HG23 ' A' 1946 ' ' THR . 26.2 tptt -62.71 -45.15 94.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.467 -0.788 . . . . 1.27 110.328 -178.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.64 84.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.859 -0.61 . . . . 0.3 111.233 177.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -59.53 -45.57 95.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.867 -0.683 . . . . 0.4 112.009 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -75.46 -28.96 59.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.98 0.419 . . . . 0.5 110.889 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' 1947 ' ' LYS . 2.7 tm? -71.83 -35.0 69.77 Favored 'General case' 0 C--O 1.219 -0.543 0 CA-C-N 116.052 -0.522 . . . . 0.41 109.666 -178.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -74.2 -25.95 59.98 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.671 -0.412 . . . . 1.06 110.932 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 37.5 t -69.6 -30.55 68.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.055 0.455 . . . . 1.43 109.794 177.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 49.5 m -147.05 77.32 10.98 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.129 -0.487 . . . . 0.8 109.825 175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.09 -3.41 8.45 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 123.142 2.562 . . . . 0.69 112.725 -176.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 8.3 t -94.14 -5.58 46.85 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.696 -0.684 . . . . 1.54 110.555 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -82.16 102.38 11.05 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.959 -0.386 . . . . 1.16 109.959 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 12.2 m -68.08 -34.89 69.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.08 -0.509 . . . . 1.33 112.235 -175.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 73.4 t80 -64.72 -49.79 69.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.439 -0.346 . . . . 1.91 110.925 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.613 HG23 ' HE3' ' A' 1933 ' ' LYS . 47.3 m -65.15 -36.17 83.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.342 -0.39 . . . . 0.6 110.804 -179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.456 ' HB2' HD21 ' A' 1937 ' ' LEU . 38.1 ttpt -63.52 -42.37 98.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.002 -0.545 . . . . 1.2 110.155 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.34 -40.79 97.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.747 -0.66 . . . . 2.67 110.619 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.494 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 46.4 mt-10 -65.81 -31.57 72.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.449 -0.341 . . . . 1.53 111.177 179.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.1 -37.8 81.58 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.621 -0.511 . . . . 0.31 109.621 176.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.665 HG23 HG23 ' A' 1872 ' ' VAL . 86.1 mt -58.2 -43.5 85.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.06 -0.518 . . . . 0.35 109.706 174.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.609 ' O ' ' HG3' ' A' 1956 ' ' ARG . 20.6 mm-40 -61.76 -47.5 84.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.739 -0.664 . . . . 2.11 110.744 174.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.478 ' O ' HG23 ' A' 1957 ' ' VAL . 76.6 m -56.47 -44.16 80.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.671 0.272 . . . . 0.88 110.884 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -60.27 -51.31 70.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.25 111.892 -178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' 1952 ' ' GLU . 11.7 ptm180 -62.63 -34.36 76.89 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.053 -0.259 . . . . 3.21 110.952 -178.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' 1952 ' ' GLU . 98.9 mtt180 -65.71 -47.06 76.66 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.465 -0.334 . . . . 3.16 110.384 178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.824 ' HB ' HG21 ' A' 1868 ' ' VAL . 96.5 t -62.6 -44.05 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.3 110.421 178.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 41.6 m -55.76 -36.32 67.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.98 -0.555 . . . . 1.13 111.464 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' 1955 ' ' ARG . 41.5 mt-10 -74.83 -34.46 62.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.929 0.395 . . . . 1.86 111.102 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.515 ' HD2' ' HB3' ' A' 1922 ' ' GLU . 73.8 mmtt -67.3 -34.68 77.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.454 -0.339 . . . . 0.65 110.703 -179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.859 HG11 ' HB2' ' A' 1865 ' ' ALA . 34.7 t -54.34 -48.65 67.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 O-C-N 123.34 0.4 . . . . 0.27 111.22 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 29.7 m -59.48 -36.07 75.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 1.3 110.968 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 77.9 m80 -72.93 -33.73 66.12 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.188 -0.46 . . . . 1.11 110.835 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' 1960 ' ' LYS . 58.9 t -68.01 -45.74 83.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.854 -0.425 . . . . 0.35 109.854 175.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' 1861 ' ' ALA . 65.9 mt -56.89 -46.52 81.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.714 -0.676 . . . . 0.35 111.245 177.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.61 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.4 111.863 -177.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . . . . . . . . . . . -62.31 -25.89 68.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.417 . . . . 0.46 111.214 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.657 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -74.69 -50.07 18.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.404 . . . . 0.5 111.204 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -70.81 -15.75 62.68 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.869 0.366 . . . . 1.7 110.82 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -71.14 -21.61 62.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.039 -0.528 . . . . 0.93 110.298 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -81.53 91.45 1.47 Allowed Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.963 -0.637 . . . . 2.0 112.034 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -116.53 147.54 41.69 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.168 -0.308 . . . . 5.01 110.168 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.522 -0.751 . . . . 7.5 109.825 179.601 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 112.159 -0.376 . . . . 21.55 112.159 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . . . . . . . . . 13.0 tt -171.09 139.67 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.882 -0.414 . . . . 20.33 109.882 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -82.07 115.8 59.68 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.937 -0.394 . . . . 19.2 109.937 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . 0.681 ' HG2' ' HA ' ' A' 1816 ' ' GLU . 93.8 Cg_endo -89.44 11.2 2.97 Favored 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 123.136 2.558 . . . . 18.2 112.958 -177.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 96.1 m-85 54.97 -100.46 0.11 Allowed 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.408 0.892 . . . . 20.33 113.408 175.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 14.3 t -83.15 -32.03 26.86 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 112.126 0.417 . . . . 16.69 112.126 -169.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.667 ' O ' ' HB2' ' A' 1812 ' ' PRO . 27.8 t-20 -118.59 111.66 18.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.789 -0.449 . . . . 16.15 109.789 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.681 ' HA ' ' HG2' ' A' 1812 ' ' PRO . 39.6 mt-10 -76.52 85.84 3.23 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.54 0.686 . . . . 14.41 111.386 -173.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -148.61 94.03 2.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.109 -0.95 . . . . 12.08 110.004 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -96.58 -37.89 10.19 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.2 0.524 . . . . 10.45 109.92 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 20.9 t -108.8 99.13 8.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.493 -0.776 . . . . 8.54 109.507 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -79.56 -47.0 16.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.297 -0.41 . . . . 6.8 111.215 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -100.39 177.54 5.01 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.243 -0.435 . . . . 4.72 111.073 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . -86.31 4.09 86.41 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.856 -0.688 . . . . 3.52 111.665 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 56.3 t 71.18 111.15 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 C-N-CA 123.312 0.645 . . . . 2.13 110.759 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.469 HG11 ' HB ' ' A' 1931 ' ' VAL . 85.9 t 68.5 89.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 122.093 0.949 . . . . 1.83 110.82 -175.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -145.25 156.3 26.88 Favored Glycine 0 N--CA 1.44 -1.093 0 CA-C-N 114.441 -1.254 . . . . 2.1 110.614 175.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . 85.85 -62.91 4.33 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.784 -0.722 . . . . 0.91 111.871 -179.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . . . . . . . . . 25.8 ptt? -67.63 -16.83 64.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 1.1 110.969 -178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 12.7 p -68.78 -26.6 33.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.005 0.431 . . . . 0.74 110.052 177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.52 -31.0 67.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.027 -0.533 . . . . 0.87 110.121 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 74.6 m -59.65 -32.99 70.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.746 -0.661 . . . . 0.97 110.694 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.598 HG23 ' CE2' ' A' 1893 ' ' TYR . 58.6 mt -69.61 -44.71 79.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.986 0.422 . . . . 0.32 110.125 177.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 10.4 m -62.85 -40.17 96.63 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.93 -0.577 . . . . 0.61 110.64 177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.41 -40.97 96.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.822 -0.626 . . . . 2.49 110.191 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -60.73 -32.0 71.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.485 -0.78 . . . . 0.34 111.352 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . 0.495 ' HA ' HE22 ' A' 1921 ' ' GLN . 51.9 mt -65.56 -54.92 22.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.078 0.466 . . . . 0.49 110.155 175.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -61.6 -46.68 88.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.589 -0.732 . . . . 0.72 111.786 -175.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -56.93 -31.28 64.79 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.364 0.505 . . . . 1.0 112.364 -173.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.502 HD21 ' O ' ' A' 1897 ' ' ALA . 80.3 mt -79.34 -43.44 23.54 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.665 0.246 . . . . 0.79 111.665 -177.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -87.26 -30.1 21.16 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.702 -0.399 . . . . 1.79 111.561 -174.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -65.79 -58.98 4.37 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.836 -0.431 . . . . 3.25 109.836 177.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . . . . . . . . . . . 176.23 120.72 0.63 Allowed Glycine 0 N--CA 1.442 -0.92 0 CA-C-N 115.657 -0.701 . . . . 1.73 111.723 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -83.29 168.97 12.92 Favored 'Trans proline' 0 N--CA 1.454 -0.827 0 C-N-CA 122.502 2.135 . . . . 2.43 111.575 176.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 27.5 ttt -95.16 -36.01 11.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.278 0.561 . . . . 5.03 109.561 174.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 94.29 -110.16 3.94 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.469 -0.787 . . . . 1.86 111.529 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . 0.421 ' N ' ' HD3' ' A' 1846 ' ' PRO . 38.2 t70 60.33 67.32 1.66 Allowed Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.029 0.487 . . . . 3.08 111.054 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' 1845 ' ' ASP . 4.4 Cg_endo -84.76 119.07 2.18 Favored 'Trans proline' 0 N--CA 1.453 -0.899 0 C-N-CA 122.653 2.235 . . . . 1.21 111.79 175.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -93.61 14.19 19.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.843 -0.617 . . . . 2.82 110.38 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -167.12 -150.52 6.47 Favored Glycine 0 N--CA 1.441 -0.981 0 CA-C-N 115.505 -0.77 . . . . 1.14 111.463 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 38.2 m -104.86 176.84 5.03 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.872 0.368 . . . . 1.64 110.581 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . 0.599 ' HE1' HD11 ' A' 1916 ' ' ILE . 84.6 t80 -56.02 -41.53 75.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.831 -0.622 . . . . 0.68 110.728 177.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . . . . . . . . . 7.4 p -59.15 -35.2 56.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-N 116.057 -0.52 . . . . 0.79 111.601 -177.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.57 -50.64 71.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.252 0.549 . . . . 1.71 110.872 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -76.7 -31.03 56.95 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.851 -0.613 . . . . 1.07 110.805 -178.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.682 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 51.5 tt0 -56.75 -57.27 13.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.99 111.121 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' 1859 ' ' ARG . 14.9 t -62.98 -31.04 72.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 1.46 110.631 -177.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 90.2 m -72.8 -43.96 62.09 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.286 -0.416 . . . . 0.42 111.394 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 81.4 mtp -71.34 -38.82 71.63 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.996 0.369 . . . . 0.71 111.996 -176.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.665 ' O ' ' HG3' ' A' 1862 ' ' LYS . 35.5 m -61.87 -31.41 50.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.519 -0.472 . . . . 0.29 110.77 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.505 ' HG3' ' O ' ' A' 1855 ' ' THR . 68.7 mtt180 -70.34 -44.12 68.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.844 0.354 . . . . 3.02 110.457 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.599 ' HB ' HD21 ' A' 1896 ' ' LEU . 23.5 m -66.86 -33.17 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.303 -0.408 . . . . 0.35 110.921 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.5 ' O ' HG13 ' A' 1864 ' ' ILE . . . -61.78 -42.19 98.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.25 110.541 175.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.665 ' HG3' ' O ' ' A' 1858 ' ' VAL . 59.4 mttm -62.38 -31.94 72.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.093 0.473 . . . . 1.31 110.414 176.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . . . . . . . . . . . -70.85 -39.51 72.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.763 -0.653 . . . . 0.41 111.249 -178.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.768 HD11 HG22 ' A' 1961 ' ' VAL . 1.4 pp -75.77 -29.8 20.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 C-N-CA 120.393 -0.523 . . . . 0.28 109.994 178.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.844 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -70.22 -44.49 68.47 Favored 'General case' 0 C--N 1.335 -0.06 0 CA-C-N 116.269 -0.423 . . . . 0.2 111.614 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 13.8 p -64.64 -26.49 40.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.368 0.604 . . . . 0.73 110.087 177.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . . . . . . . . . 98.8 m -74.39 -49.95 20.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.811 -0.631 . . . . 0.25 111.159 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.795 HG21 ' HB ' ' A' 1957 ' ' VAL . 5.1 p -65.96 -32.65 59.1 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-O 120.827 0.346 . . . . 0.28 111.035 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.622 ' O ' HG12 ' A' 1872 ' ' VAL . 0.0 OUTLIER -69.96 -27.91 65.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.217 0.532 . . . . 0.91 109.719 176.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.493 ' N ' ' HG3' ' A' 1869 ' ' GLN . 6.9 tp10 -78.09 -35.92 48.78 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 109.87 -0.418 . . . . 0.57 109.87 177.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.416 ' SD ' ' HB2' ' A' 1885 ' ' LEU . 48.5 mmm -60.85 -34.34 74.44 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.15 -0.477 . . . . 1.25 111.513 -178.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' 1869 ' ' GLN . 9.5 p -70.04 -34.75 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.483 0.659 . . . . 0.59 110.301 179.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 84.8 m -80.97 -42.52 21.11 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.617 -0.72 . . . . 0.44 110.98 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.774 ' HA ' ' HE3' ' A' 1874 ' ' LYS . 0.0 OUTLIER -70.67 -32.65 69.98 Favored 'General case' 0 C--O 1.213 -0.818 0 CA-C-N 116.151 -0.477 . . . . 1.4 112.159 -175.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . 0.468 ' HA ' HD11 ' A' 1882 ' ' LEU . 10.1 p -62.39 -26.46 68.49 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-O 121.49 0.662 . . . . 1.11 110.58 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -82.57 -34.78 27.64 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.346 -0.843 . . . . 0.76 112.035 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 7.6 p -108.88 -35.95 6.24 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.253 0.834 . . . . 1.32 113.253 -170.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . . . . . . . . . 72.6 m -150.0 85.86 5.43 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.42 -0.355 . . . . 1.17 110.507 -171.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . 0.402 ' HG3' ' HB3' ' A' 1941 ' ' PRO . 26.6 Cg_endo -61.19 -29.43 86.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.574 2.182 . . . . 0.67 112.165 -177.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.22 -24.72 64.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.858 -0.61 . . . . 2.24 111.181 -179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.408 ' O ' ' HD2' ' A' 1884 ' ' PRO . 33.7 mm-40 -74.32 -17.07 60.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.39 -0.368 . . . . 1.89 111.388 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' 1875 ' ' SER . 92.5 mt -68.78 -23.68 64.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.101 -0.5 . . . . 0.34 111.219 -178.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . . . . . . . . . . . -66.53 -55.42 17.95 Favored Glycine 0 CA--C 1.52 0.38 0 C-N-CA 120.63 -0.795 . . . . 0.38 112.877 -178.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.408 ' HD2' ' O ' ' A' 1881 ' ' GLU . 36.3 Cg_exo -59.96 -33.44 95.64 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.522 2.148 . . . . 0.58 112.194 175.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . 0.416 ' HB2' ' SD ' ' A' 1871 ' ' MET . 76.2 mt -73.5 -46.12 49.84 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.266 -0.425 . . . . 0.37 110.95 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -57.39 -31.23 65.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.145 0.498 . . . . 0.36 109.679 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -70.32 -50.78 35.63 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.559 -0.746 . . . . 1.43 110.521 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -64.58 -42.48 95.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 1.07 110.548 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.448 HD12 ' HB ' ' A' 1864 ' ' ILE . 47.3 tp -56.34 -42.68 78.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 0.25 109.763 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . . . . . . . . . 37.3 m -64.14 -49.15 73.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.413 -0.812 . . . . 0.28 111.153 176.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 17.3 t -65.24 -53.05 50.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.94 -0.573 . . . . 1.17 111.72 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.52 -35.16 79.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.402 -0.363 . . . . 0.8 111.208 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . 0.598 ' CE2' HG23 ' A' 1831 ' ' ILE . 58.0 t80 -63.77 -41.21 98.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.764 0.316 . . . . 0.31 110.297 175.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -65.47 -30.6 77.92 Favored Glycine 0 CA--C 1.507 -0.452 0 N-CA-C 110.904 -0.878 . . . . 0.31 110.904 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.451 ' O ' ' HG3' ' A' 1899 ' ' GLN . 6.7 ttp180 -72.14 -40.23 68.19 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.917 -0.642 . . . . 3.04 110.479 175.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.599 HD21 ' HB ' ' A' 1860 ' ' THR . 14.5 mt -63.85 -40.9 97.66 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.827 -0.349 . . . . 0.86 110.497 175.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . 0.502 ' O ' HD21 ' A' 1838 ' ' LEU . . . -63.34 -32.41 73.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.744 -0.662 . . . . 0.49 112.024 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 10.0 p -80.36 -44.5 19.35 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.939 -0.304 . . . . 1.38 110.835 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' 1895 ' ' ARG . 19.2 mt-30 -65.1 -24.12 67.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.464 -0.334 . . . . 1.56 111.722 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -65.74 -27.96 68.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.431 -0.35 . . . . 0.34 111.628 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.544 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 97.0 mttt -64.37 -59.7 10.26 Favored Pre-proline 0 CA--C 1.538 0.491 0 CA-C-N 116.644 -0.253 . . . . 2.27 111.33 -179.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 36.1 Cg_endo -66.4 -30.0 44.89 Favored 'Trans proline' 0 C--N 1.356 0.958 0 C-N-CA 121.743 1.629 . . . . 0.6 112.153 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.73 -42.17 97.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.014 0.435 . . . . 0.39 110.555 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -63.69 -40.13 96.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.826 -0.625 . . . . 0.46 111.006 179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 49.0 t -75.55 -32.9 25.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.186 -0.461 . . . . 1.26 111.037 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -75.12 -10.32 59.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.335 -0.393 . . . . 0.64 111.084 179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -76.13 141.67 41.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.036 -0.529 . . . . 0.85 110.379 177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -78.81 -11.74 60.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.204 0.526 . . . . 2.67 110.735 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.658 ' HB2' HG12 ' A' 1912 ' ' ILE . 2.1 m-20 -122.35 140.92 52.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.081 -0.508 . . . . 2.18 109.921 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -65.39 -39.31 92.08 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.757 -0.46 . . . . 2.24 109.757 173.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' 1911 ' ' GLU . 2.4 mp0 -59.02 -38.95 80.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 2.49 110.813 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.658 HG12 ' HB2' ' A' 1909 ' ' ASN . 42.3 mm -68.74 -44.42 82.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.015 -0.539 . . . . 0.89 110.281 -179.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -65.07 -44.79 93.75 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.51 111.687 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -56.09 -44.02 78.62 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.224 0.535 . . . . 0.46 110.383 175.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' 1911 ' ' GLU . 3.1 t-80 -61.61 -42.44 98.87 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.087 -0.96 . . . . 1.62 110.528 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.599 HD11 ' HE1' ' A' 1850 ' ' PHE . 85.8 mt -62.27 -55.39 24.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.4 110.803 178.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.611 ' O ' ' HG2' ' A' 1921 ' ' GLN . 50.2 mtmt -59.47 -44.74 92.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.955 -0.566 . . . . 1.36 110.981 -176.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . 0.518 ' HA ' ' CG ' ' A' 1921 ' ' GLN . 2.0 m-70 -75.19 -25.48 58.28 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.53 0.567 . . . . 1.91 112.53 -175.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.515 ' HA ' ' HD3' ' A' 1919 ' ' ARG . 51.9 mmt-85 -74.93 -28.77 60.73 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.367 -0.533 . . . . 2.55 110.787 174.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' 1916 ' ' ILE . 61.0 t -68.5 -34.0 63.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.556 -0.535 . . . . 0.35 109.556 173.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' A' 1917 ' ' LYS . 20.8 mm-40 -57.75 -32.03 67.06 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.773 -0.648 . . . . 1.22 110.575 176.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.597 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 18.0 mm-40 -59.98 -47.21 86.75 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.654 -0.703 . . . . 1.49 110.461 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . 0.691 ' HB3' ' SG ' ' A' 1927 ' ' CYS . 16.5 mt -70.56 -27.85 64.45 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 109.285 -0.635 . . . . 0.67 109.285 176.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . 0.425 ' C ' HD11 ' A' 1835 ' ' ILE . . . -55.93 -34.29 61.48 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.867 -0.683 . . . . 0.64 112.133 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -89.67 -46.2 8.8 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.768 0.318 . . . . 0.69 110.466 176.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . . . . . . . . . . . -66.06 -56.73 12.82 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 121.063 -0.589 . . . . 0.25 113.12 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' A' 1923 ' ' LEU . 99.2 m -61.52 -36.27 80.07 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 122.669 0.388 . . . . 1.22 111.01 -178.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 12.7 t -62.08 -49.73 74.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.952 0.406 . . . . 1.03 110.019 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -61.19 -38.53 86.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.28 110.741 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.721 HD11 HG23 ' A' 1868 ' ' VAL . 0.8 OUTLIER -62.2 -53.36 56.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.78 -0.646 . . . . 0.28 111.362 -179.268 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.469 ' HB ' HG11 ' A' 1824 ' ' VAL . 18.9 m -66.38 -31.11 52.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.965 0.412 . . . . 0.26 110.644 -177.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 88.4 m -69.41 -41.28 76.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.009 -0.541 . . . . 0.8 110.574 178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.537 ' HE2' ' HB2' ' A' 1949 ' ' GLU . 37.5 tptt -71.84 -35.2 69.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.91 -0.587 . . . . 1.27 110.829 -176.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -58.04 -37.14 73.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.3 111.5 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -61.52 -40.46 98.73 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.8 -0.715 . . . . 0.4 111.848 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -74.32 -30.43 62.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.037 0.446 . . . . 0.5 110.605 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.414 HD21 ' HB2' ' A' 1947 ' ' LYS . 2.3 tm? -71.59 -37.34 71.0 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 116.021 -0.536 . . . . 0.41 109.74 -178.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -70.99 -26.08 62.98 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.481 -0.488 . . . . 1.06 110.975 175.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 11.5 t -67.69 -32.27 72.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.204 -0.453 . . . . 1.43 109.822 178.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 73.9 m -150.77 81.63 6.34 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.8 110.095 175.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . 0.402 ' HB3' ' HG3' ' A' 1879 ' ' PRO . 18.6 Cg_endo -61.07 -18.67 59.32 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.311 2.674 . . . . 0.69 112.855 -176.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 48.2 m -83.39 -12.94 55.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.002 -0.544 . . . . 1.54 111.753 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -73.4 108.76 6.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.104 0.478 . . . . 1.16 110.539 -175.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 14.7 m -63.43 -38.54 82.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.615 -0.72 . . . . 1.33 111.99 -177.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . . . . . . . . . 54.4 t80 -69.9 -46.95 64.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.49 -0.323 . . . . 1.91 110.966 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . . . . . . . . . 35.7 m -60.22 -41.65 93.54 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.951 0.405 . . . . 0.6 110.344 178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.454 ' O ' HG13 ' A' 1951 ' ' ILE . 38.3 ttpt -63.78 -46.21 86.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.815 -0.63 . . . . 1.2 110.291 177.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . 0.586 ' O ' ' HG2' ' A' 1952 ' ' GLU . 54.6 tttm -56.15 -48.46 76.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.861 -0.609 . . . . 2.67 111.059 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.537 ' HB2' ' HE2' ' A' 1933 ' ' LYS . 52.3 mt-10 -61.79 -35.26 77.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.389 -0.369 . . . . 1.53 111.483 -178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . 0.417 ' HG ' HD23 ' A' 1930 ' ' LEU . 8.9 tt -68.49 -36.41 78.89 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.72 -0.474 . . . . 0.31 109.72 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.475 HG23 HG23 ' A' 1872 ' ' VAL . 85.6 mt -62.99 -41.38 92.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.209 -0.45 . . . . 0.35 110.03 174.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' 1948 ' ' LYS . 58.4 mm-40 -57.82 -46.73 84.29 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.541 -0.541 . . . . 2.11 109.541 174.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.521 ' O ' HG23 ' A' 1957 ' ' VAL . 69.8 m -58.94 -46.85 86.97 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.642 -0.708 . . . . 0.88 110.9 178.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -56.54 -46.04 80.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.25 111.536 -178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.504 ' O ' ' HG2' ' A' 1959 ' ' GLU . 64.4 mtt180 -60.88 -45.52 94.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.553 -0.294 . . . . 3.21 110.609 179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.607 ' O ' ' HG2' ' A' 1960 ' ' LYS . 22.5 mtm180 -60.34 -41.47 93.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.36 -0.382 . . . . 3.16 111.062 -178.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.795 ' HB ' HG21 ' A' 1868 ' ' VAL . 53.5 t -65.02 -47.2 88.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.901 0.381 . . . . 0.3 110.654 178.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 16.0 m -57.36 -35.66 70.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.873 -0.603 . . . . 1.13 111.003 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' 1955 ' ' ARG . 5.7 mm-40 -70.53 -29.34 65.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.28 0.562 . . . . 1.86 111.39 179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' 1956 ' ' ARG . 74.2 mmtt -76.31 -35.28 58.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.167 -0.469 . . . . 0.65 110.73 -178.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.844 HG11 ' HB2' ' A' 1865 ' ' ALA . 27.4 t -55.1 -45.85 77.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 O-C-N 123.224 0.327 . . . . 0.27 111.388 -178.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 41.4 t -58.24 -36.42 73.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.979 0.419 . . . . 1.3 110.429 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . . . . . . . . . 67.1 m80 -77.36 -26.98 52.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.163 -0.471 . . . . 1.11 111.102 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' 1960 ' ' LYS . 57.7 t -73.13 -45.16 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.699 -0.482 . . . . 0.35 109.699 174.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.547 ' O ' ' HG2' ' A' 1969 ' ' GLN . 71.2 mt -59.76 -46.22 89.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.787 -0.642 . . . . 0.35 110.418 176.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -67.26 -24.75 65.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.977 -0.556 . . . . 0.4 111.469 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . 0.461 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -62.59 -41.24 98.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.374 -0.376 . . . . 0.46 110.626 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.682 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 3.4 mm? -71.49 -38.02 71.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.07 -0.513 . . . . 0.5 110.814 177.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . 0.547 ' HG2' ' O ' ' A' 1965 ' ' LEU . 75.5 mm-40 -64.57 -19.19 65.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 1.7 111.107 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -78.67 -8.86 59.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.005 -0.543 . . . . 0.93 111.358 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . 0.577 ' HA3' ' CE2' ' A' 1850 ' ' PHE . . . -73.11 152.75 47.41 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.907 -0.663 . . . . 2.0 112.137 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . . . . . . . . . 16.8 m120 -121.84 115.84 23.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.772 0.32 . . . . 5.01 111.296 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.56 -0.734 . . . . 7.5 109.313 172.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1809 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.71 0 N-CA-C 111.945 -0.462 . . . . 21.55 111.945 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1810 ' ' ILE . . . . . 0.605 HD13 ' H ' ' A' 1810 ' ' ILE . 0.2 OUTLIER -125.11 -25.66 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.691 0.245 . . . . 20.33 110.593 177.768 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1811 ' ' ASP . . . . . . . . . . . . . 21.6 m-20 61.3 92.47 0.06 OUTLIER Pre-proline 0 N--CA 1.463 0.218 0 O-C-N 123.883 0.739 . . . . 19.2 110.831 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1812 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -70.65 114.93 4.01 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.682 2.255 . . . . 18.2 113.061 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1813 ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -126.98 14.64 7.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.866 -0.606 . . . . 20.33 110.243 175.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1814 ' ' THR . . . . . . . . . . . . . 2.4 m -79.56 30.11 0.24 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.644 -0.707 . . . . 16.69 110.863 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 7.5 t30 60.1 50.22 6.73 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.758 0.79 . . . . 16.15 109.691 -177.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.706 ' HG2' ' HB2' ' A' 1819 ' ' SER . 11.0 tp10 -154.48 130.95 10.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.108 -0.951 . . . . 14.41 109.171 -178.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -73.24 -65.06 0.86 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.149 0.426 . . . . 12.08 112.149 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -104.8 25.3 10.57 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.129 0.418 . . . . 10.45 112.129 -171.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . 0.706 ' HB2' ' HG2' ' A' 1816 ' ' GLU . 38.8 m -149.85 146.42 27.11 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.027 0.442 . . . . 8.54 111.432 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -121.93 -59.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.714 -0.675 . . . . 6.8 109.394 175.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -98.2 14.79 26.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.525 -0.761 . . . . 4.72 109.368 172.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . 0.424 ' HA2' ' HB3' ' A' 1819 ' ' SER . . . 77.33 -69.37 2.54 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.247 -0.888 . . . . 3.52 111.826 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1823 ' ' VAL . . . . . . . . . . . . . 4.7 t -70.78 -69.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.03 0.443 . . . . 2.13 110.854 -176.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1824 ' ' VAL . . . . . 0.497 HG11 ' HB ' ' A' 1931 ' ' VAL . 49.1 t -108.53 114.59 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.084 -0.507 . . . . 1.83 110.198 -177.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1825 ' ' GLY . . . . . . . . . . . . . . . -169.65 25.78 0.11 Allowed Glycine 0 C--N 1.319 -0.376 0 C-N-CA 120.708 -0.758 . . . . 2.1 112.702 177.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1826 ' ' GLY . . . . . . . . . . . . . . . -134.71 -52.86 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.698 -0.763 . . . . 0.91 111.643 176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1827 ' ' MET . . . . . 0.673 ' HB2' HG21 ' A' 1890 ' ' THR . 24.2 ptt? -69.04 -13.06 62.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.877 0.37 . . . . 1.1 111.405 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1828 ' ' VAL . . . . . . . . . . . . . 7.8 p -69.25 -29.69 43.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.343 0.592 . . . . 0.74 109.99 176.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1829 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -67.62 -38.65 84.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.908 -0.587 . . . . 0.87 109.649 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1830 ' ' SER . . . . . . . . . . . . . 18.9 m -57.81 -45.83 85.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.317 -0.856 . . . . 0.97 110.452 175.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.429 HG23 ' CE2' ' A' 1893 ' ' TYR . 61.5 mt -58.61 -43.89 88.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.651 -0.704 . . . . 0.32 110.613 177.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1832 ' ' THR . . . . . . . . . . . . . 29.3 m -61.87 -44.23 97.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.852 -0.613 . . . . 0.61 110.973 -178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1833 ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -64.82 -37.73 88.6 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.837 0.351 . . . . 2.49 111.044 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1834 ' ' ALA . . . . . 0.475 ' HB1' ' CB ' ' A' 1897 ' ' ALA . . . -62.44 -31.61 72.35 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.929 -0.578 . . . . 0.34 111.085 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1835 ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' 1831 ' ' ILE . 67.3 mt -66.3 -46.19 87.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.943 -0.572 . . . . 0.49 110.232 174.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1836 ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -67.99 -42.52 80.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.659 -0.7 . . . . 0.72 112.196 -174.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1837 ' ' GLN . . . . . 0.433 HE21 ' HB1' ' A' 1897 ' ' ALA . 28.4 pt20 -58.52 -30.62 67.22 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.132 0.492 . . . . 1.0 111.623 -176.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1838 ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' A' 1917 ' ' LYS . 81.0 mt -69.55 -39.46 77.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.237 -0.438 . . . . 0.79 111.333 -176.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1839 ' ' ASP . . . . . . . . . . . . . 24.5 t70 -80.02 -34.54 38.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.189 -0.459 . . . . 1.79 111.358 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1840 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.91 -24.66 43.98 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.402 -0.363 . . . . 3.25 111.622 -175.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1841 ' ' GLY . . . . . 0.515 ' O ' ' HE3' ' A' 1901 ' ' LYS . . . -121.51 103.57 0.88 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.245 -0.978 . . . . 1.73 113.141 -176.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1842 ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -98.92 11.11 0.76 Allowed 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.201 2.601 . . . . 2.43 112.013 172.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1843 ' ' MET . . . . . . . . . . . . . 27.3 ptt? -109.42 164.76 12.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.027 -0.533 . . . . 5.03 111.279 -174.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1844 ' ' GLY . . . . . . . . . . . . . . . 170.18 176.64 39.89 Favored Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.253 -0.739 . . . . 1.86 111.253 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1845 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -130.29 84.36 60.05 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-O 121.128 0.49 . . . . 3.08 110.301 175.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1846 ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -82.4 149.92 15.03 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.655 2.236 . . . . 1.21 112.375 176.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1847 ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -123.71 -9.35 7.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.844 -0.617 . . . . 2.82 110.473 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1848 ' ' GLY . . . . . . . . . . . . . . . -86.39 171.1 43.48 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.74 -0.743 . . . . 1.14 112.121 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1849 ' ' SER . . . . . . . . . . . . . 2.8 p -88.82 32.98 0.78 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.656 0.243 . . . . 1.64 111.656 -176.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1850 ' ' PHE . . . . . . . . . . . . . 80.3 t80 69.21 -54.45 0.57 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.32 0.648 . . . . 0.68 111.497 -176.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1851 ' ' VAL . . . . . 0.445 ' HA ' ' HB3' ' A' 1854 ' ' GLN . 10.0 p -56.28 -30.73 30.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.457 -0.338 . . . . 0.79 111.191 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1852 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -62.72 -40.89 98.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.348 -0.387 . . . . 1.71 110.623 177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1853 ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -76.15 -40.23 53.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.575 -0.528 . . . . 1.07 109.575 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1854 ' ' GLN . . . . . 0.642 ' HG3' ' HB3' ' A' 1968 ' ' LEU . 47.6 tt0 -54.3 -51.79 63.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.134 -0.939 . . . . 0.99 111.289 178.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1855 ' ' THR . . . . . . . . . . . . . 4.9 p -61.29 -40.32 93.7 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 1.46 111.324 -179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1856 ' ' THR . . . . . . . . . . . . . 17.5 m -63.57 -37.69 88.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.064 0.459 . . . . 0.42 110.464 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1857 ' ' MET . . . . . . . . . . . . . 69.7 mtp -72.44 -51.1 21.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.441 -0.345 . . . . 0.71 111.871 -179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1858 ' ' VAL . . . . . 0.709 ' O ' ' HG3' ' A' 1862 ' ' LYS . 29.7 m -58.87 -39.26 77.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.727 -0.389 . . . . 0.29 111.179 -175.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1859 ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' 1859 ' ' ARG . 40.7 mtp180 -67.56 -37.11 82.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 3.02 110.922 178.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1860 ' ' THR . . . . . 0.591 ' HB ' HD21 ' A' 1896 ' ' LEU . 63.6 m -69.96 -35.5 74.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.978 0.418 . . . . 0.35 110.516 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1861 ' ' ALA . . . . . 0.574 ' O ' HG13 ' A' 1864 ' ' ILE . . . -64.07 -42.95 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.811 0.338 . . . . 0.25 110.491 176.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1862 ' ' LYS . . . . . 0.709 ' HG3' ' O ' ' A' 1858 ' ' VAL . 80.5 mttt -67.22 -26.43 66.59 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.87 0.367 . . . . 1.31 110.295 176.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1863 ' ' ALA . . . . . 0.449 ' O ' HG12 ' A' 1866 ' ' VAL . . . -71.07 -42.25 69.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.017 -0.538 . . . . 0.41 110.886 178.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1864 ' ' ILE . . . . . 0.609 HD11 HG22 ' A' 1961 ' ' VAL . 1.6 pp -73.06 -27.3 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.703 -0.48 . . . . 0.28 109.703 176.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1865 ' ' ALA . . . . . 0.808 ' HB2' HG11 ' A' 1961 ' ' VAL . . . -68.34 -40.99 81.4 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 115.97 -0.559 . . . . 0.2 111.493 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1866 ' ' VAL . . . . . 0.452 ' HA ' ' HG2' ' A' 1869 ' ' GLN . 12.8 p -68.83 -27.49 35.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.354 -0.539 . . . . 0.73 110.121 178.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1867 ' ' THR . . . . . 0.56 ' O ' ' HG3' ' A' 1871 ' ' MET . 99.1 m -70.79 -51.93 23.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.25 110.791 174.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1868 ' ' VAL . . . . . 0.771 HG21 ' HB ' ' A' 1957 ' ' VAL . 7.3 p -63.79 -36.66 77.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.717 0.294 . . . . 0.28 111.024 -178.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1869 ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' 1866 ' ' VAL . 0.0 OUTLIER -68.51 -26.2 65.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.291 0.567 . . . . 0.91 109.794 177.67 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1870 ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' 1869 ' ' GLN . 5.4 tp10 -77.17 -38.5 51.61 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.208 -0.451 . . . . 0.57 109.803 176.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1871 ' ' MET . . . . . 0.56 ' HG3' ' O ' ' A' 1867 ' ' THR . 81.8 mtp -64.71 -41.8 95.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 1.25 110.923 -177.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1872 ' ' VAL . . . . . 0.495 HG23 HG23 ' A' 1951 ' ' ILE . 11.3 p -63.65 -30.75 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.585 0.707 . . . . 0.59 110.456 178.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1873 ' ' THR . . . . . . . . . . . . . 99.0 m -80.99 -55.19 4.95 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.143 -0.935 . . . . 0.44 111.258 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1874 ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' A' 1874 ' ' LYS . 9.1 mmpt? -67.78 -28.13 67.35 Favored 'General case' 0 C--O 1.219 -0.513 0 N-CA-C 113.068 0.766 . . . . 1.4 113.068 -172.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1875 ' ' SER . . . . . . . . . . . . . 7.2 p -57.9 -25.11 60.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.978 0.354 . . . . 1.11 111.777 -176.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1876 ' ' ASN . . . . . . . . . . . . . 52.9 m-80 -69.26 -54.15 16.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.053 -0.521 . . . . 0.76 111.623 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1877 ' ' THR . . . . . . . . . . . . . 1.9 p -100.99 -30.14 11.79 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.704 0.631 . . . . 1.32 112.704 -173.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1878 ' ' SER . . . . . 0.488 ' HB2' ' HG2' ' A' 1881 ' ' GLU . 13.1 p -135.2 82.98 40.09 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-O 120.816 0.341 . . . . 1.17 111.13 -173.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1879 ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.38 -23.67 37.8 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.549 2.166 . . . . 0.67 112.428 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.59 -23.19 61.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.325 -0.398 . . . . 2.24 111.337 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.488 ' HG2' ' HB2' ' A' 1878 ' ' SER . 25.2 mm-40 -76.6 -10.45 59.39 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.961 0.41 . . . . 1.89 111.141 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1882 ' ' LEU . . . . . 0.441 HD12 HD12 ' A' 1937 ' ' LEU . 94.1 mt -69.27 -28.01 65.93 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.965 -0.561 . . . . 0.34 111.207 -179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1883 ' ' GLY . . . . . 0.405 ' N ' ' HD2' ' A' 1884 ' ' PRO . . . -63.68 -56.44 19.19 Favored Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.858 -0.687 . . . . 0.38 113.436 -177.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1884 ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' 1883 ' ' GLY . 19.3 Cg_endo -61.2 -32.32 90.58 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.258 1.972 . . . . 0.58 112.259 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1885 ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.1 -41.79 63.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.373 -0.376 . . . . 0.37 110.913 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1886 ' ' ALA . . . . . . . . . . . . . . . -59.52 -32.66 70.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.291 0.567 . . . . 0.36 109.737 175.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1887 ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -69.08 -47.37 65.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.425 -0.807 . . . . 1.43 111.418 178.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1888 ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -69.56 -42.66 74.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.567 -0.288 . . . . 1.07 110.905 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1889 ' ' LEU . . . . . 0.562 ' HG ' ' SG ' ' A' 1927 ' ' CYS . 44.0 tp -54.48 -39.97 68.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.041 0.448 . . . . 0.25 109.894 178.215 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1890 ' ' THR . . . . . 0.673 HG21 ' HB2' ' A' 1827 ' ' MET . 82.8 m -68.28 -49.09 62.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.541 -0.754 . . . . 0.28 111.731 178.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1891 ' ' SER . . . . . . . . . . . . . 72.9 p -67.14 -47.19 71.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.267 0.556 . . . . 1.17 111.29 -173.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1892 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.76 -32.62 73.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.283 -0.871 . . . . 0.8 110.862 -179.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1893 ' ' TYR . . . . . 0.429 ' CE2' HG23 ' A' 1831 ' ' ILE . 42.5 t80 -61.36 -42.44 98.71 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.98 0.419 . . . . 0.31 109.929 171.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1894 ' ' GLY . . . . . . . . . . . . . . . -57.71 -29.37 61.29 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.613 -0.722 . . . . 0.31 112.351 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1895 ' ' ARG . . . . . 0.446 ' HB2' HG21 ' A' 1860 ' ' THR . 68.0 mtt180 -65.76 -48.73 70.87 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.398 0.618 . . . . 3.04 109.608 178.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1896 ' ' LEU . . . . . 0.591 HD21 ' HB ' ' A' 1860 ' ' THR . 40.6 mt -61.74 -38.84 89.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.618 -0.719 . . . . 0.86 110.754 178.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1897 ' ' ALA . . . . . 0.475 ' CB ' ' HB1' ' A' 1834 ' ' ALA . . . -66.34 -26.12 67.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.752 -0.658 . . . . 0.49 111.942 -179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1898 ' ' SER . . . . . . . . . . . . . 7.6 p -91.92 -31.43 15.66 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.823 -0.351 . . . . 1.38 111.31 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1899 ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -77.42 -30.16 53.35 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.805 0.298 . . . . 1.56 111.805 179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1900 ' ' ALA . . . . . . . . . . . . . . . -62.04 -35.62 79.15 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 112.97 0.729 . . . . 0.34 112.97 -172.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1901 ' ' LYS . . . . . 0.645 ' HB2' ' HD3' ' A' 1902 ' ' PRO . 56.4 mtpt -67.96 -53.59 19.66 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 120.865 -0.334 . . . . 2.27 111.725 -177.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1902 ' ' PRO . . . . . 0.645 ' HD3' ' HB2' ' A' 1901 ' ' LYS . 45.0 Cg_exo -59.05 -34.65 99.01 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.975 1.784 . . . . 0.6 112.208 173.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1903 ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.53 98.63 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.867 0.365 . . . . 0.39 110.695 178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1904 ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.15 84.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.795 -0.638 . . . . 0.46 111.163 179.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1905 ' ' VAL . . . . . . . . . . . . . 21.5 t -75.31 -29.55 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.974 -0.557 . . . . 1.26 110.759 -179.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1906 ' ' ALA . . . . . . . . . . . . . . . -76.25 -18.04 59.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.126 -0.488 . . . . 0.64 111.164 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1907 ' ' ALA . . . . . . . . . . . . . . . -72.77 149.58 43.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.496 . . . . 0.85 110.69 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1908 ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -72.45 -18.73 61.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.247 0.546 . . . . 2.67 110.803 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1909 ' ' ASN . . . . . 0.604 ' HB3' HG12 ' A' 1912 ' ' ILE . 44.9 t-20 -128.47 132.39 48.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.781 -0.645 . . . . 2.18 109.76 -174.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1910 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -66.54 -32.05 73.15 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.035 0.445 . . . . 2.24 110.281 -179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1911 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -65.78 -34.1 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.928 -0.578 . . . . 2.49 110.249 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1912 ' ' ILE . . . . . 0.604 HG12 ' HB3' ' A' 1909 ' ' ASN . 36.1 mm -66.33 -42.44 90.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.057 -0.52 . . . . 0.89 109.612 176.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1913 ' ' GLY . . . . . . . . . . . . . . . -61.48 -44.88 97.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.902 -0.666 . . . . 0.51 111.902 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1914 ' ' ALA . . . . . . . . . . . . . . . -59.89 -42.74 94.47 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.308 0.575 . . . . 0.46 110.236 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1915 ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -59.78 -37.05 77.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.077 -0.965 . . . . 1.62 110.803 -178.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1916 ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' 1912 ' ' ILE . 92.3 mt -67.78 -54.85 19.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.4 111.054 177.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1917 ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' 1921 ' ' GLN . 18.6 ptpt -67.22 -31.56 72.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 1.36 111.811 -174.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1918 ' ' HIS . . . . . . . . . . . . . 36.4 m170 -68.02 -31.81 71.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.934 0.397 . . . . 1.91 110.663 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1919 ' ' ARG . . . . . 0.718 ' HB3' HG22 ' A' 1964 ' ' VAL . 17.8 mmm180 -70.44 -31.47 68.65 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.321 -0.399 . . . . 2.55 110.761 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1920 ' ' VAL . . . . . . . . . . . . . 22.0 t -71.9 -31.42 40.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.4 -0.364 . . . . 0.35 110.106 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1921 ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' 1917 ' ' LYS . 21.4 mm-40 -57.72 -36.76 72.46 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.301 0.572 . . . . 1.22 109.923 175.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1922 ' ' GLU . . . . . 0.55 ' HB3' ' HD2' ' A' 1960 ' ' LYS . 17.7 mm-40 -59.68 -49.36 78.04 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.175 -0.92 . . . . 1.49 111.22 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1923 ' ' LEU . . . . . . . . . . . . . 15.3 mt -66.8 -32.01 73.02 Favored 'General case' 0 C--O 1.208 -1.097 0 N-CA-C 109.256 -0.646 . . . . 0.67 109.256 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1924 ' ' GLY . . . . . . . . . . . . . . . -51.94 -52.39 35.23 Favored Glycine 0 N--CA 1.44 -1.036 0 C-N-CA 120.303 -0.951 . . . . 0.64 111.44 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1925 ' ' HIS . . . . . . . . . . . . . 55.6 m-70 -72.16 -33.95 68.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.652 0.263 . . . . 0.69 110.82 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1926 ' ' GLY . . . . . 0.478 ' HA3' HG22 ' A' 1957 ' ' VAL . . . -73.11 -54.38 7.04 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.989 -0.624 . . . . 0.25 112.189 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1927 ' ' CYS . . . . . 0.562 ' SG ' ' HG ' ' A' 1889 ' ' LEU . 14.1 t -55.03 -49.99 70.19 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 122.991 0.517 . . . . 1.22 110.635 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1928 ' ' SER . . . . . . . . . . . . . 47.3 m -51.63 -52.44 47.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.948 0.404 . . . . 1.03 110.648 177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1929 ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.32 96.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.81 -0.632 . . . . 0.28 111.07 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1930 ' ' LEU . . . . . 0.498 HD11 HG23 ' A' 1868 ' ' VAL . 0.4 OUTLIER -60.44 -52.98 62.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.939 -0.573 . . . . 0.28 110.892 -177.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1931 ' ' VAL . . . . . 0.497 ' HB ' HG11 ' A' 1824 ' ' VAL . 23.6 m -66.41 -36.01 76.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.68 0.276 . . . . 0.26 110.898 -177.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1932 ' ' THR . . . . . . . . . . . . . 100.0 m -63.56 -46.51 85.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.137 0.494 . . . . 0.8 110.367 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1933 ' ' LYS . . . . . 0.46 ' HE3' HG23 ' A' 1946 ' ' THR . 37.1 tptt -67.09 -39.34 86.75 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.831 -0.622 . . . . 1.27 110.286 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1934 ' ' ALA . . . . . . . . . . . . . . . -61.23 -34.33 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.3 111.272 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1935 ' ' GLY . . . . . . . . . . . . . . . -63.22 -44.08 97.59 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.681 -0.771 . . . . 0.4 111.879 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1936 ' ' ALA . . . . . . . . . . . . . . . -78.0 -29.67 49.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.691 0.281 . . . . 0.5 111.36 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1937 ' ' LEU . . . . . 0.441 HD12 HD12 ' A' 1882 ' ' LEU . 3.2 tm? -69.07 -37.42 78.49 Favored 'General case' 0 C--O 1.218 -0.571 0 N-CA-C 109.825 -0.435 . . . . 0.41 109.825 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1938 ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -71.63 -24.81 61.94 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 120.909 0.385 . . . . 1.06 110.779 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1939 ' ' CYS . . . . . . . . . . . . . 42.5 t -72.01 -29.7 64.47 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.277 -0.42 . . . . 1.43 109.949 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1940 ' ' SER . . . . . . . . . . . . . 15.4 m -136.66 65.33 54.01 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.216 -0.447 . . . . 0.8 110.399 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1941 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.83 -14.36 41.26 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.415 2.076 . . . . 0.69 112.723 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1942 ' ' SER . . . . . . . . . . . . . 74.3 m -84.39 -14.29 49.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.84 -0.618 . . . . 1.54 111.252 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1943 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.12 127.33 32.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.831 0.348 . . . . 1.16 110.124 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1944 ' ' VAL . . . . . . . . . . . . . 35.1 t -79.55 -40.59 21.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.25 -0.432 . . . . 1.33 111.341 -175.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1945 ' ' TYR . . . . . 0.405 ' O ' ' HG3' ' A' 1949 ' ' GLU . 35.0 t80 -64.89 -45.09 87.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.355 -0.384 . . . . 1.91 111.253 -173.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1946 ' ' THR . . . . . 0.46 HG23 ' HE3' ' A' 1933 ' ' LYS . 28.7 m -59.69 -41.7 91.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.062 0.458 . . . . 0.6 110.853 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1947 ' ' LYS . . . . . 0.408 ' HB2' HD21 ' A' 1937 ' ' LEU . 36.7 ttpt -68.57 -42.76 77.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 1.2 110.213 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1948 ' ' LYS . . . . . . . . . . . . . 61.8 tttp -52.98 -44.06 66.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.471 -0.786 . . . . 2.67 110.65 176.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1949 ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' 1945 ' ' TYR . 42.9 mt-10 -66.48 -45.79 78.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.931 -0.577 . . . . 1.53 110.999 177.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1950 ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.98 -42.99 99.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.465 -0.334 . . . . 0.31 111.209 -177.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1951 ' ' ILE . . . . . 0.538 ' O ' ' HG3' ' A' 1955 ' ' ARG . 84.5 mt -56.08 -43.64 76.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.964 0.412 . . . . 0.35 110.075 177.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1952 ' ' GLU . . . . . 0.587 ' O ' ' HG3' ' A' 1956 ' ' ARG . 23.0 mm-40 -64.58 -43.17 94.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.959 -0.564 . . . . 2.11 110.866 177.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1953 ' ' CYS . . . . . 0.521 ' O ' HG23 ' A' 1957 ' ' VAL . 70.9 m -57.1 -45.35 83.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.88 110.557 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1954 ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.45 98.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.25 111.163 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1955 ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' 1951 ' ' ILE . 79.7 mtp180 -57.7 -43.79 85.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 3.21 110.923 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1956 ' ' ARG . . . . . 0.623 ' O ' ' HG2' ' A' 1960 ' ' LYS . 69.2 mtp180 -66.48 -42.17 87.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 3.16 111.033 -177.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1957 ' ' VAL . . . . . 0.771 ' HB ' HG21 ' A' 1868 ' ' VAL . 57.4 t -61.39 -40.5 86.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.779 0.323 . . . . 0.3 110.352 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1958 ' ' SER . . . . . . . . . . . . . 19.2 m -59.07 -38.48 79.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 1.13 110.776 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1959 ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' 1955 ' ' ARG . 74.9 mt-10 -67.82 -37.96 82.64 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.24 0.543 . . . . 1.86 110.449 178.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1960 ' ' LYS . . . . . 0.643 ' O ' HG23 ' A' 1964 ' ' VAL . 74.4 mmtt -62.15 -41.79 98.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.716 -0.674 . . . . 0.65 110.792 -178.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1961 ' ' VAL . . . . . 0.808 HG11 ' HB2' ' A' 1865 ' ' ALA . 46.8 t -53.17 -48.8 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 123.734 0.646 . . . . 0.27 111.639 -176.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1962 ' ' SER . . . . . . . . . . . . . 16.8 t -59.91 -36.32 76.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 1.3 110.482 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1963 ' ' HIS . . . . . 0.45 ' HB2' ' NH2' ' A' 1919 ' ' ARG . 35.7 m170 -76.25 -26.46 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.508 -0.314 . . . . 1.11 110.849 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1964 ' ' VAL . . . . . 0.718 HG22 ' HB3' ' A' 1919 ' ' ARG . 48.7 t -72.14 -45.14 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.666 -0.494 . . . . 0.35 109.666 174.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1965 ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' A' 1969 ' ' GLN . 73.9 mt -57.71 -47.7 81.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.523 -0.762 . . . . 0.35 110.531 176.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1966 ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.49 70.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.71 -0.677 . . . . 0.4 111.503 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1967 ' ' ALA . . . . . 0.647 ' HB2' ' HG3' ' A' 1919 ' ' ARG . . . -62.55 -44.59 95.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.509 -0.314 . . . . 0.46 110.63 178.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1968 ' ' LEU . . . . . 0.642 ' HB3' ' HG3' ' A' 1854 ' ' GLN . 4.2 mm? -64.92 -40.11 94.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.051 -0.522 . . . . 0.5 110.248 176.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1969 ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' 1965 ' ' LEU . 31.3 mm-40 -60.62 -28.5 68.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.006 -0.543 . . . . 1.7 111.1 -178.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1970 ' ' ALA . . . . . . . . . . . . . . . -75.65 -20.53 58.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.93 111.327 -178.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1971 ' ' GLY . . . . . . . . . . . . . . . -89.25 -20.12 46.97 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.771 -0.728 . . . . 2.0 112.398 -178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1972 ' ' ASN . . . . . 0.476 ' HB2' HE22 ' A' 1854 ' ' GLN . 3.5 t-20 -84.05 123.26 29.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.839 -0.43 . . . . 5.01 109.839 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1973 ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.664 -0.684 . . . . 7.5 109.942 -178.926 . . . . . . . . 0 0 . 1 stop_ save_